1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride

C26H42ClN — CID 174059306

IUPAC1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(N)c1c(C)c(C)cc2ccccc12.Cl
InChIInChI=1S/C26H41N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19-25(27)26-22(3)21(2)20-23-17-15-16-18-24(23)26;/h15-18,20,25H,4-14,19,27H2,1-3H3;1H
InChIKeySKCOHCWJXSSDKV-UHFFFAOYSA-N
MW404.08 g/mol
LogP8.58
Rot. Bonds13

About 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride

1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride (PubChem CID 174059306) has the molecular formula C26H42ClN and a molecular weight of 404.08 g/mol. Its IUPAC name is 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
PubChem CID174059306
Molecular FormulaC26H42ClN
Molecular Weight404.08 g/mol
Exact Mass403.30
IUPAC Name1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(N)c1c(C)c(C)cc2ccccc12.Cl
InChIInChI=1S/C26H41N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19-25(27)26-22(3)21(2)20-23-17-15-16-18-24(23)26;/h15-18,20,25H,4-14,19,27H2,1-3H3;1H
InChIKeySKCOHCWJXSSDKV-UHFFFAOYSA-N
XLogP8.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.08
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;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-(2,3-dimethylnaphthalen-1-yl)dodecan-1-amine
CID 21316120
1-(2,3-dimethylnaphthalen-1-yl)hexadecan-1-amine
CID 21316096
1-(1-iodononyl)-2,3-dimethylnaphthalene
CID 20554947
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride
CID 174059373
1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine
CID 21316064
1-(2,3-diethylnaphthalen-1-yl)octan-1-amine;hydrate
CID 173447879
2-(1-aminododecyl)-3,4-dimethylbenzenesulfonic acid
CID 139807845
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
CID 171197562
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride?
The IUPAC name of 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride (CID 174059306) is 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride is CCCCCCCCCCCCCC(N)c1c(C)c(C)cc2ccccc12.Cl.
What is the InChIKey of 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride?
The InChIKey is SKCOHCWJXSSDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19-25(27)26-22(3)21(2)20-23-17-15-16-18-24(23)26;/h15-18,20,25H,4-14,19,27H2,1-3H3;1H.
What are the key properties of 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride?
1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride has a molecular weight of 404.08 g/mol, XLogP of 8.58, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride is sourced from PubChem (CID 174059306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).