(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine

C12H21NO — CID 89153897

IUPAC(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine
SMILESC[C@H]1CC(OC2CCCC2)=CCC1N
InChIInChI=1S/C12H21NO/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6,9-10,12H,2-5,7-8,13H2,1H3/t9-,12?/m0/s1
InChIKeyUWFZDQHIEWKDOJ-QHGLUPRGSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds2

About (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine

(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine (PubChem CID 89153897) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine
PubChem CID89153897
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine
SMILESC[C@H]1CC(OC2CCCC2)=CCC1N
InChIInChI=1S/C12H21NO/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6,9-10,12H,2-5,7-8,13H2,1H3/t9-,12?/m0/s1
InChIKeyUWFZDQHIEWKDOJ-QHGLUPRGSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S)-4-cyclopentyloxy-6-methylcyclohex-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

Frequently Asked Questions

What is the IUPAC name of (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine?
The IUPAC name of (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine (CID 89153897) is (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine.
What is the SMILES notation for (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine?
The canonical SMILES for (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine is C[C@H]1CC(OC2CCCC2)=CCC1N.
What is the InChIKey of (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine?
The InChIKey is UWFZDQHIEWKDOJ-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6,9-10,12H,2-5,7-8,13H2,1H3/t9-,12?/m0/s1.
What are the key properties of (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine?
(6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-cyclopentyloxy-6-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 89153897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).