1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine

C19H35N2+ — CID 12039959

IUPAC1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine
SMILESCCCCCCCCCCCC[n+]1ccc(N(C)C)cc1
InChIInChI=1S/C19H35N2/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-19(15-18-21)20(2)3/h14-15,17-18H,4-13,16H2,1-3H3/q+1
InChIKeyUMEOOVFIOQSJGG-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.96
Rot. Bonds12

About 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine

1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine (PubChem CID 12039959) has the molecular formula C19H35N2+ and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine.

Molecular Properties

Compound Name1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine
PubChem CID12039959
Molecular FormulaC19H35N2+
Molecular Weight291.50 g/mol
Exact Mass291.28
IUPAC Name1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine
SMILESCCCCCCCCCCCC[n+]1ccc(N(C)C)cc1
InChIInChI=1S/C19H35N2/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-19(15-18-21)20(2)3/h14-15,17-18H,4-13,16H2,1-3H3/q+1
InChIKeyUMEOOVFIOQSJGG-UHFFFAOYSA-N
XLogP4.96
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine?
The IUPAC name of 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine (CID 12039959) is 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine.
What is the SMILES notation for 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine?
The canonical SMILES for 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine is CCCCCCCCCCCC[n+]1ccc(N(C)C)cc1.
What is the InChIKey of 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine?
The InChIKey is UMEOOVFIOQSJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N2/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-19(15-18-21)20(2)3/h14-15,17-18H,4-13,16H2,1-3H3/q+1.
What are the key properties of 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine?
1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine has a molecular weight of 291.50 g/mol, XLogP of 4.96, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine is sourced from PubChem (CID 12039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).