(1R,6S)-N,6-dimethylcyclohex-3-en-1-amine

C8H15N — CID 177020331

IUPAC(1R,6S)-N,6-dimethylcyclohex-3-en-1-amine
SMILESCN[C@@H]1CC=CC[C@@H]1C
InChIInChI=1S/C8H15N/c1-7-5-3-4-6-8(7)9-2/h3-4,7-9H,5-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyPQWUDSVUYFFQQT-JGVFFNPUSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds1

About (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine

(1R,6S)-N,6-dimethylcyclohex-3-en-1-amine (PubChem CID 177020331) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R,6S)-N,6-dimethylcyclohex-3-en-1-amine
PubChem CID177020331
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1R,6S)-N,6-dimethylcyclohex-3-en-1-amine
SMILESCN[C@@H]1CC=CC[C@@H]1C
InChIInChI=1S/C8H15N/c1-7-5-3-4-6-8(7)9-2/h3-4,7-9H,5-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyPQWUDSVUYFFQQT-JGVFFNPUSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,6S)-N,6-dimethylcyclohex-3-en-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

(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine
CID 167246472
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
N-methylcyclopent-3-en-1-amine
CID 21306607
carbanide;N-methylcyclopent-3-en-1-amine;platinum(4+)
CID 153492119
N,3-dimethyl-2-propan-2-ylcyclopentan-1-amine
CID 123913499
(5R)-4-ethyl-5-methylcyclohexene
CID 154516565
N,2-dimethylcyclopentan-1-amine;ethane
CID 144598118
N-methylcyclohex-3-en-1-amine
CID 12702515
(4S)-3,4-dimethylcyclopentene
CID 145216424
1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine
CID 79406492
N,1,4-trimethylpyrrolidin-3-amine
CID 123430116

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine?
The IUPAC name of (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine (CID 177020331) is (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine is CN[C@@H]1CC=CC[C@@H]1C.
What is the InChIKey of (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine?
The InChIKey is PQWUDSVUYFFQQT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-3-4-6-8(7)9-2/h3-4,7-9H,5-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine?
(1R,6S)-N,6-dimethylcyclohex-3-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N,6-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 177020331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).