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

C24H37ClN2 — CID 14576927

IUPAC1-benzyl-N-dodecylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl
InChIInChI=1S/C24H36N2.ClH/c1-2-3-4-5-6-7-8-9-10-14-19-25-24-17-20-26(21-18-24)22-23-15-12-11-13-16-23;/h11-13,15-18,20-21H,2-10,14,19,22H2,1H3;1H
InChIKeySZZFGCLYDYICBT-UHFFFAOYSA-N
MW389.03 g/mol
LogP6.78
Rot. Bonds13

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

1-benzyl-N-dodecylpyridin-4-imine;hydrochloride (PubChem CID 14576927) has the molecular formula C24H37ClN2 and a molecular weight of 389.03 g/mol. Its IUPAC name is 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-dodecylpyridin-4-imine;hydrochloride
PubChem CID14576927
Molecular FormulaC24H37ClN2
Molecular Weight389.03 g/mol
Exact Mass388.26
IUPAC Name1-benzyl-N-dodecylpyridin-4-imine;hydrochloride
SMILESCCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl
InChIInChI=1S/C24H36N2.ClH/c1-2-3-4-5-6-7-8-9-10-14-19-25-24-17-20-26(21-18-24)22-23-15-12-11-13-16-23;/h11-13,15-18,20-21H,2-10,14,19,22H2,1H3;1H
InChIKeySZZFGCLYDYICBT-UHFFFAOYSA-N
XLogP6.78
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.03
LogP ≤ 56.78
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-dodecylpyridin-4-imine;hydrochloride?
The IUPAC name of 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride (CID 14576927) is 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride?
The canonical SMILES for 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride is CCCCCCCCCCCCN=c1ccn(Cc2ccccc2)cc1.Cl.
What is the InChIKey of 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride?
The InChIKey is SZZFGCLYDYICBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2.ClH/c1-2-3-4-5-6-7-8-9-10-14-19-25-24-17-20-26(21-18-24)22-23-15-12-11-13-16-23;/h11-13,15-18,20-21H,2-10,14,19,22H2,1H3;1H.
What are the key properties of 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride?
1-benzyl-N-dodecylpyridin-4-imine;hydrochloride has a molecular weight of 389.03 g/mol, XLogP of 6.78, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-dodecylpyridin-4-imine;hydrochloride is sourced from PubChem (CID 14576927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).