(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride

C20H38Cl2N2 — CID 153409280

IUPAC(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride
SMILESCCCCCCCCCCCCCC[n+]1ccc(CN)cc1.Cl.[Cl-]
InChIInChI=1S/C20H37N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-20(19-21)15-18-22;;/h14-15,17-18H,2-13,16,19,21H2,1H3;2*1H/q+1;;/p-1
InChIKeyCCKHCSXSNLEZHD-UHFFFAOYSA-M
MW377.44 g/mol
LogP2.56
Rot. Bonds14

About (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride

(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride (PubChem CID 153409280) has the molecular formula C20H38Cl2N2 and a molecular weight of 377.44 g/mol. Its IUPAC name is (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride.

Molecular Properties

Compound Name(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride
PubChem CID153409280
Molecular FormulaC20H38Cl2N2
Molecular Weight377.44 g/mol
Exact Mass376.24
IUPAC Name(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride
SMILESCCCCCCCCCCCCCC[n+]1ccc(CN)cc1.Cl.[Cl-]
InChIInChI=1S/C20H37N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-20(19-21)15-18-22;;/h14-15,17-18H,2-13,16,19,21H2,1H3;2*1H/q+1;;/p-1
InChIKeyCCKHCSXSNLEZHD-UHFFFAOYSA-M
XLogP2.56
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
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'}

Analyze (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-butylpyridin-1-ium-4-yl)methanamine
CID 91902595
4-butyl-1-dodecylpyridin-1-ium chloride
CID 22164599
1-decyl-4-tridecylpyridin-1-ium chloride
CID 11362636
4-decyl-1-nonadecylpyridin-1-ium
CID 69394028
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587
1-octadecyl-4-octylpyridin-1-ium
CID 69390260
4-dodecyl-1-pentylpyridin-1-ium
CID 69391900
1-pentadecyl-4-tetradecylpyridin-1-ium
CID 69388055
1-nonyl-4-octylpyridin-1-ium
CID 69390561
1-hexadecyl-4-propylpyridin-1-ium
CID 69389334

Frequently Asked Questions

What is the IUPAC name of (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride?
The IUPAC name of (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride (CID 153409280) is (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride.
What is the SMILES notation for (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride?
The canonical SMILES for (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride is CCCCCCCCCCCCCC[n+]1ccc(CN)cc1.Cl.[Cl-].
What is the InChIKey of (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride?
The InChIKey is CCKHCSXSNLEZHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H37N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-20(19-21)15-18-22;;/h14-15,17-18H,2-13,16,19,21H2,1H3;2*1H/q+1;;/p-1.
What are the key properties of (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride?
(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride has a molecular weight of 377.44 g/mol, XLogP of 2.56, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride is sourced from PubChem (CID 153409280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).