2-(dimethylamino)pentadecanoic acid;hydrochloride

C17H36ClNO2 — CID 87499144

IUPAC2-(dimethylamino)pentadecanoic acid;hydrochloride
SMILESCCCCCCCCCCCCCC(C(=O)O)N(C)C.Cl
InChIInChI=1S/C17H35NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2)3;/h16H,4-15H2,1-3H3,(H,19,20);1H
InChIKeyDAJRPCGUVLUALZ-UHFFFAOYSA-N
MW321.93 g/mol
LogP5.12
Rot. Bonds14

About 2-(dimethylamino)pentadecanoic acid;hydrochloride

2-(dimethylamino)pentadecanoic acid;hydrochloride (PubChem CID 87499144) has the molecular formula C17H36ClNO2 and a molecular weight of 321.93 g/mol. Its IUPAC name is 2-(dimethylamino)pentadecanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)pentadecanoic acid;hydrochloride
PubChem CID87499144
Molecular FormulaC17H36ClNO2
Molecular Weight321.93 g/mol
Exact Mass321.24
IUPAC Name2-(dimethylamino)pentadecanoic acid;hydrochloride
SMILESCCCCCCCCCCCCCC(C(=O)O)N(C)C.Cl
InChIInChI=1S/C17H35NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2)3;/h16H,4-15H2,1-3H3,(H,19,20);1H
InChIKeyDAJRPCGUVLUALZ-UHFFFAOYSA-N
XLogP5.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.93
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)pentadecanoic acid;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

2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
2-(dimethylamino)-10-methylundecanoic acid
CID 154202442
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
2-[acetyl(propyl)amino]octanoic acid
CID 63702958
2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
CID 173089896

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pentadecanoic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)pentadecanoic acid;hydrochloride (CID 87499144) is 2-(dimethylamino)pentadecanoic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)pentadecanoic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)pentadecanoic acid;hydrochloride is CCCCCCCCCCCCCC(C(=O)O)N(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)pentadecanoic acid;hydrochloride?
The InChIKey is DAJRPCGUVLUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2)3;/h16H,4-15H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(dimethylamino)pentadecanoic acid;hydrochloride?
2-(dimethylamino)pentadecanoic acid;hydrochloride has a molecular weight of 321.93 g/mol, XLogP of 5.12, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pentadecanoic acid;hydrochloride is sourced from PubChem (CID 87499144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).