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

C20H29ClN2 — CID 14576925

IUPAC1-benzyl-N-octylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl
InChIInChI=1S/C20H28N2.ClH/c1-2-3-4-5-6-10-15-21-20-13-16-22(17-14-20)18-19-11-8-7-9-12-19;/h7-9,11-14,16-17H,2-6,10,15,18H2,1H3;1H
InChIKeyUYTMBNYKBJDQDE-UHFFFAOYSA-N
MW332.92 g/mol
LogP5.22
Rot. Bonds9

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

1-benzyl-N-octylpyridin-4-imine;hydrochloride (PubChem CID 14576925) has the molecular formula C20H29ClN2 and a molecular weight of 332.92 g/mol. Its IUPAC name is 1-benzyl-N-octylpyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-octylpyridin-4-imine;hydrochloride
PubChem CID14576925
Molecular FormulaC20H29ClN2
Molecular Weight332.92 g/mol
Exact Mass332.20
IUPAC Name1-benzyl-N-octylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl
InChIInChI=1S/C20H28N2.ClH/c1-2-3-4-5-6-10-15-21-20-13-16-22(17-14-20)18-19-11-8-7-9-12-19;/h7-9,11-14,16-17H,2-6,10,15,18H2,1H3;1H
InChIKeyUYTMBNYKBJDQDE-UHFFFAOYSA-N
XLogP5.22
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.92
LogP ≤ 55.22
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 1-benzyl-N-octylpyridin-4-imine;hydrochloride?
The IUPAC name of 1-benzyl-N-octylpyridin-4-imine;hydrochloride (CID 14576925) is 1-benzyl-N-octylpyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-benzyl-N-octylpyridin-4-imine;hydrochloride?
The canonical SMILES for 1-benzyl-N-octylpyridin-4-imine;hydrochloride is CCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl.
What is the InChIKey of 1-benzyl-N-octylpyridin-4-imine;hydrochloride?
The InChIKey is UYTMBNYKBJDQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.ClH/c1-2-3-4-5-6-10-15-21-20-13-16-22(17-14-20)18-19-11-8-7-9-12-19;/h7-9,11-14,16-17H,2-6,10,15,18H2,1H3;1H.
What are the key properties of 1-benzyl-N-octylpyridin-4-imine;hydrochloride?
1-benzyl-N-octylpyridin-4-imine;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-octylpyridin-4-imine;hydrochloride is sourced from PubChem (CID 14576925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).