(3R)-3,11-dimethyldodecan-1-amine

C14H31N — CID 118054380

IUPAC(3R)-3,11-dimethyldodecan-1-amine
SMILESCC(C)CCCCCCC[C@@H](C)CCN
InChIInChI=1S/C14H31N/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15/h13-14H,4-12,15H2,1-3H3/t14-/m1/s1
InChIKeyVSTVUZRQCGZBQD-CQSZACIVSA-N
MW213.41 g/mol
LogP4.36
Rot. Bonds10

About (3R)-3,11-dimethyldodecan-1-amine

(3R)-3,11-dimethyldodecan-1-amine (PubChem CID 118054380) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is (3R)-3,11-dimethyldodecan-1-amine.

Molecular Properties

Compound Name(3R)-3,11-dimethyldodecan-1-amine
PubChem CID118054380
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name(3R)-3,11-dimethyldodecan-1-amine
SMILESCC(C)CCCCCCC[C@@H](C)CCN
InChIInChI=1S/C14H31N/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15/h13-14H,4-12,15H2,1-3H3/t14-/m1/s1
InChIKeyVSTVUZRQCGZBQD-CQSZACIVSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3,11-dimethyldodecan-1-amine 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

(3R)-3,7-dimethyloctan-1-amine
CID 92974894
3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine
CID 107815689
3-methylpentadecan-1-amine
CID 57147657
tetrakis((3S)-3,7-dimethyloctan-1-amine);platinum(2+);tetrachloroplatinum(2-)
CID 173193055
36-methylheptatriacontan-1-amine
CID 134324173
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
3,8,9-trimethyldecan-1-amine
CID 155084510
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
4,7-dimethyloctan-1-amine
CID 123439711
2,11,23-trimethylpentacosane
CID 123728262
2,44-dimethyltripentacontane
CID 123367078

Frequently Asked Questions

What is the IUPAC name of (3R)-3,11-dimethyldodecan-1-amine?
The IUPAC name of (3R)-3,11-dimethyldodecan-1-amine (CID 118054380) is (3R)-3,11-dimethyldodecan-1-amine.
What is the SMILES notation for (3R)-3,11-dimethyldodecan-1-amine?
The canonical SMILES for (3R)-3,11-dimethyldodecan-1-amine is CC(C)CCCCCCC[C@@H](C)CCN.
What is the InChIKey of (3R)-3,11-dimethyldodecan-1-amine?
The InChIKey is VSTVUZRQCGZBQD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H31N/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15/h13-14H,4-12,15H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-3,11-dimethyldodecan-1-amine?
(3R)-3,11-dimethyldodecan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,11-dimethyldodecan-1-amine is sourced from PubChem (CID 118054380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).