1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide

C17H31IN2 — CID 71323910

IUPAC1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide
SMILESCCCCCCCCCC[n+]1ccc(N(C)C)cc1.[I-]
InChIInChI=1S/C17H31N2.HI/c1-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(2)3;/h12-13,15-16H,4-11,14H2,1-3H3;1H/q+1;/p-1
InChIKeyAJPUSADRRRUVNN-UHFFFAOYSA-M
MW390.35 g/mol
LogP1.18
Rot. Bonds10

About 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide

1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide (PubChem CID 71323910) has the molecular formula C17H31IN2 and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide.

Molecular Properties

Compound Name1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide
PubChem CID71323910
Molecular FormulaC17H31IN2
Molecular Weight390.35 g/mol
Exact Mass390.15
IUPAC Name1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide
SMILESCCCCCCCCCC[n+]1ccc(N(C)C)cc1.[I-]
InChIInChI=1S/C17H31N2.HI/c1-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(2)3;/h12-13,15-16H,4-11,14H2,1-3H3;1H/q+1;/p-1
InChIKeyAJPUSADRRRUVNN-UHFFFAOYSA-M
XLogP1.18
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 4166459
N,N-dimethyl-4-[(E)-2-(1-tetracosylpyridin-1-ium-4-yl)ethenyl]aniline
CID 177488015
4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline bromide
CID 15250423
N,N-dimethyl-4-[2-(1-pentylpyridin-1-ium-4-yl)ethenyl]aniline
CID 76565847
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride
CID 10018560
1-butyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102190926
1-dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium bromide
CID 54607465
1-butyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 70694251
1-decylpyridin-1-ium-4-amine bromide
CID 44656372
1-(butylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine
CID 10422747
1-tridecylpyridin-1-ium iodide
CID 71429526

Frequently Asked Questions

What is the IUPAC name of 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide?
The IUPAC name of 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide (CID 71323910) is 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide.
What is the SMILES notation for 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide?
The canonical SMILES for 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide is CCCCCCCCCC[n+]1ccc(N(C)C)cc1.[I-].
What is the InChIKey of 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide?
The InChIKey is AJPUSADRRRUVNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H31N2.HI/c1-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(2)3;/h12-13,15-16H,4-11,14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide?
1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide has a molecular weight of 390.35 g/mol, XLogP of 1.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide is sourced from PubChem (CID 71323910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).