Chemical Properties of 1,5-Pentanediamine, N-(6-methoxy-8-quinolinyl)-N'-(1-methylethyl)- (CAS 86-78-2)

InChI

InChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3

InChI Key

VKXQZROIIKPELG-UHFFFAOYSA-N

Formula

C18H27N3O

SMILES

COc1cc(NCCCCCNC(C)C)c2ncccc2c1

Molecular Weight¹

301.43

CAS

86-78-2

Other Names

• Pentaquine
• 8-(5-Isopropylaminoamylamino)-6-methoxyquinoline
• Pentaquin

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	108.86	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	257.070	ml/mol	McGowan Calculated Property
Inp	[2540.00; 2555.00]
Inp	2540.00		NIST
Inp	2555.00		NIST
Inp	2555.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1,5-Pentanediamine, N-(6-methoxy-8-quinolinyl)-N'-(1-methylethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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