(E,6R)-2,6-dimethyldodec-10-en-2-amine

C14H29N — CID 142802272

IUPAC(E,6R)-2,6-dimethyldodec-10-en-2-amine
SMILESC/C=C/CCC[C@@H](C)CCCC(C)(C)N
InChIInChI=1S/C14H29N/c1-5-6-7-8-10-13(2)11-9-12-14(3,4)15/h5-6,13H,7-12,15H2,1-4H3/b6-5+/t13-/m1/s1
InChIKeyKMNMJBIBOKSQLH-URWSZGRFSA-N
MW211.39 g/mol
LogP4.28
Rot. Bonds8

About (E,6R)-2,6-dimethyldodec-10-en-2-amine

(E,6R)-2,6-dimethyldodec-10-en-2-amine (PubChem CID 142802272) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (E,6R)-2,6-dimethyldodec-10-en-2-amine.

Molecular Properties

Compound Name(E,6R)-2,6-dimethyldodec-10-en-2-amine
PubChem CID142802272
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(E,6R)-2,6-dimethyldodec-10-en-2-amine
SMILESC/C=C/CCC[C@@H](C)CCCC(C)(C)N
InChIInChI=1S/C14H29N/c1-5-6-7-8-10-13(2)11-9-12-14(3,4)15/h5-6,13H,7-12,15H2,1-4H3/b6-5+/t13-/m1/s1
InChIKeyKMNMJBIBOKSQLH-URWSZGRFSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,6R)-2,6-dimethyldodec-10-en-2-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

(1Z,4Z)-7Alphah-11-Aminogermacra-1(10),4-Diene
CID 11276079
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
3-Cyclohexene-1-methanamine, alpha,alpha,4-trimethyl-
CID 547150
2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine
CID 162850210
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-amine
CID 15736831
3-Methyl-1-nonylcyclopent-3-enamine
CID 86063183
1-Nonylcyclopent-3-en-1-amine
CID 101845174
4,7-Dimethyloct-1-en-4-amine
CID 59741664
1N-Butylanilin
CID 68125233
1-Methyl-4-(propan-2-yl)cyclohex-3-en-1-amine
CID 129834359
5-Fluoro-1-heptan-3-ylcyclohexa-2,4-dien-1-amine
CID 67598676
1-(5,6-Difluoro-2-methylcyclohex-3-en-1-yl)cyclobutan-1-amine
CID 129056499

Frequently Asked Questions

What is the IUPAC name of (E,6R)-2,6-dimethyldodec-10-en-2-amine?
The IUPAC name of (E,6R)-2,6-dimethyldodec-10-en-2-amine (CID 142802272) is (E,6R)-2,6-dimethyldodec-10-en-2-amine.
What is the SMILES notation for (E,6R)-2,6-dimethyldodec-10-en-2-amine?
The canonical SMILES for (E,6R)-2,6-dimethyldodec-10-en-2-amine is C/C=C/CCC[C@@H](C)CCCC(C)(C)N.
What is the InChIKey of (E,6R)-2,6-dimethyldodec-10-en-2-amine?
The InChIKey is KMNMJBIBOKSQLH-URWSZGRFSA-N. The full InChI is InChI=1S/C14H29N/c1-5-6-7-8-10-13(2)11-9-12-14(3,4)15/h5-6,13H,7-12,15H2,1-4H3/b6-5+/t13-/m1/s1.
What are the key properties of (E,6R)-2,6-dimethyldodec-10-en-2-amine?
(E,6R)-2,6-dimethyldodec-10-en-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-2,6-dimethyldodec-10-en-2-amine is sourced from PubChem (CID 142802272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).