1-heptyl-N-hexylpyridin-4-imine;hydrochloride

C18H33ClN2 — CID 14198622

IUPAC1-heptyl-N-hexylpyridin-4-imine;hydrochloride
SMILESCCCCCCCn1ccc(=NCCCCCC)cc1.Cl
InChIInChI=1S/C18H32N2.ClH/c1-3-5-7-9-11-15-20-16-12-18(13-17-20)19-14-10-8-6-4-2;/h12-13,16-17H,3-11,14-15H2,1-2H3;1H
InChIKeyCNUPEZBUGBTEMG-UHFFFAOYSA-N
MW312.93 g/mol
LogP5.36
Rot. Bonds11

About 1-heptyl-N-hexylpyridin-4-imine;hydrochloride

1-heptyl-N-hexylpyridin-4-imine;hydrochloride (PubChem CID 14198622) has the molecular formula C18H33ClN2 and a molecular weight of 312.93 g/mol. Its IUPAC name is 1-heptyl-N-hexylpyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-heptyl-N-hexylpyridin-4-imine;hydrochloride
PubChem CID14198622
Molecular FormulaC18H33ClN2
Molecular Weight312.93 g/mol
Exact Mass312.23
IUPAC Name1-heptyl-N-hexylpyridin-4-imine;hydrochloride
SMILESCCCCCCCn1ccc(=NCCCCCC)cc1.Cl
InChIInChI=1S/C18H32N2.ClH/c1-3-5-7-9-11-15-20-16-12-18(13-17-20)19-14-10-8-6-4-2;/h12-13,16-17H,3-11,14-15H2,1-2H3;1H
InChIKeyCNUPEZBUGBTEMG-UHFFFAOYSA-N
XLogP5.36
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.93
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Octenidine Hydrochloride
CID 51166
Octenidine
CID 51167
Pirtenidine Hydrochloride
CID 151111
1-dodecylpyridin-4(1H)-imine
CID 1878823
1-Heptyl-1H-pyridin-4-ylideneamine
CID 9551797
1-Dodecyl-1H-pyridin-4-ylideneamine
CID 16682136
N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine
CID 65879
N-hexyl-1-octylpyridin-4-imine;hydrochloride
CID 14198624
N-hexyl-1-nonylpyridin-4-imine;hydrochloride
CID 14198626
N-hexyl-1-[4-(4-hexylimino-1-pyridinyl)butyl]pyridin-4-imine;dihydrobromide
CID 13408455
N-hexyl-1-[5-(4-hexylimino-1-pyridinyl)pentyl]pyridin-4-imine;dihydrobromide
CID 13408457
N-hexyl-1-[6-(4-hexylimino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
CID 13408459

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-N-hexylpyridin-4-imine;hydrochloride?
The IUPAC name of 1-heptyl-N-hexylpyridin-4-imine;hydrochloride (CID 14198622) is 1-heptyl-N-hexylpyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-heptyl-N-hexylpyridin-4-imine;hydrochloride?
The canonical SMILES for 1-heptyl-N-hexylpyridin-4-imine;hydrochloride is CCCCCCCn1ccc(=NCCCCCC)cc1.Cl.
What is the InChIKey of 1-heptyl-N-hexylpyridin-4-imine;hydrochloride?
The InChIKey is CNUPEZBUGBTEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2.ClH/c1-3-5-7-9-11-15-20-16-12-18(13-17-20)19-14-10-8-6-4-2;/h12-13,16-17H,3-11,14-15H2,1-2H3;1H.
What are the key properties of 1-heptyl-N-hexylpyridin-4-imine;hydrochloride?
1-heptyl-N-hexylpyridin-4-imine;hydrochloride has a molecular weight of 312.93 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-N-hexylpyridin-4-imine;hydrochloride is sourced from PubChem (CID 14198622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).