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

C26H41ClN2 — CID 14576929

IUPAC1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl
InChIInChI=1S/C26H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-27-26-19-22-28(23-20-26)24-25-17-14-13-15-18-25;/h13-15,17-20,22-23H,2-12,16,21,24H2,1H3;1H
InChIKeyYFXQOSMRTBHJCX-UHFFFAOYSA-N
MW417.08 g/mol
LogP7.56
Rot. Bonds15

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

1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride (PubChem CID 14576929) has the molecular formula C26H41ClN2 and a molecular weight of 417.08 g/mol. Its IUPAC name is 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride
PubChem CID14576929
Molecular FormulaC26H41ClN2
Molecular Weight417.08 g/mol
Exact Mass416.30
IUPAC Name1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl
InChIInChI=1S/C26H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-27-26-19-22-28(23-20-26)24-25-17-14-13-15-18-25;/h13-15,17-20,22-23H,2-12,16,21,24H2,1H3;1H
InChIKeyYFXQOSMRTBHJCX-UHFFFAOYSA-N
XLogP7.56
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.08
LogP ≤ 57.56
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-tetradecylpyridin-4-imine;hydrochloride?
The IUPAC name of 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride (CID 14576929) is 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride?
The canonical SMILES for 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride is CCCCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl.
What is the InChIKey of 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride?
The InChIKey is YFXQOSMRTBHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-27-26-19-22-28(23-20-26)24-25-17-14-13-15-18-25;/h13-15,17-20,22-23H,2-12,16,21,24H2,1H3;1H.
What are the key properties of 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride?
1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride has a molecular weight of 417.08 g/mol, XLogP of 7.56, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride is sourced from PubChem (CID 14576929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).