N-hexyl-1-octylpyridin-4-imine;hydrochloride

C19H35ClN2 — CID 14198624

IUPACN-hexyl-1-octylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCn1ccc(=NCCCCCC)cc1.Cl
InChIInChI=1S/C19H34N2.ClH/c1-3-5-7-9-10-12-16-21-17-13-19(14-18-21)20-15-11-8-6-4-2;/h13-14,17-18H,3-12,15-16H2,1-2H3;1H
InChIKeyYBFBIBBELJFELJ-UHFFFAOYSA-N
MW326.96 g/mol
LogP5.75
Rot. Bonds12

About N-hexyl-1-octylpyridin-4-imine;hydrochloride

N-hexyl-1-octylpyridin-4-imine;hydrochloride (PubChem CID 14198624) has the molecular formula C19H35ClN2 and a molecular weight of 326.96 g/mol. Its IUPAC name is N-hexyl-1-octylpyridin-4-imine;hydrochloride.

Molecular Properties

Compound NameN-hexyl-1-octylpyridin-4-imine;hydrochloride
PubChem CID14198624
Molecular FormulaC19H35ClN2
Molecular Weight326.96 g/mol
Exact Mass326.25
IUPAC NameN-hexyl-1-octylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCn1ccc(=NCCCCCC)cc1.Cl
InChIInChI=1S/C19H34N2.ClH/c1-3-5-7-9-10-12-16-21-17-13-19(14-18-21)20-15-11-8-6-4-2;/h13-14,17-18H,3-12,15-16H2,1-2H3;1H
InChIKeyYBFBIBBELJFELJ-UHFFFAOYSA-N
XLogP5.75
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.96
LogP ≤ 55.75
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-octylpyridin-4-imine;hydrochloride?
The IUPAC name of N-hexyl-1-octylpyridin-4-imine;hydrochloride (CID 14198624) is N-hexyl-1-octylpyridin-4-imine;hydrochloride.
What is the SMILES notation for N-hexyl-1-octylpyridin-4-imine;hydrochloride?
The canonical SMILES for N-hexyl-1-octylpyridin-4-imine;hydrochloride is CCCCCCCCn1ccc(=NCCCCCC)cc1.Cl.
What is the InChIKey of N-hexyl-1-octylpyridin-4-imine;hydrochloride?
The InChIKey is YBFBIBBELJFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2.ClH/c1-3-5-7-9-10-12-16-21-17-13-19(14-18-21)20-15-11-8-6-4-2;/h13-14,17-18H,3-12,15-16H2,1-2H3;1H.
What are the key properties of N-hexyl-1-octylpyridin-4-imine;hydrochloride?
N-hexyl-1-octylpyridin-4-imine;hydrochloride has a molecular weight of 326.96 g/mol, XLogP of 5.75, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-octylpyridin-4-imine;hydrochloride is sourced from PubChem (CID 14198624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).