[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine

C8H15NO — CID 89381392

IUPAC[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
SMILESCO[C@@H]1C=CC(CN)CC1
InChIInChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7-8H,3,5-6,9H2,1H3/t7?,8-/m1/s1
InChIKeyOWZWKRDQUWSDEO-BRFYHDHCSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds2

About [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine

[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine (PubChem CID 89381392) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
PubChem CID89381392
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
SMILESCO[C@@H]1C=CC(CN)CC1
InChIInChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7-8H,3,5-6,9H2,1H3/t7?,8-/m1/s1
InChIKeyOWZWKRDQUWSDEO-BRFYHDHCSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine 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 [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine?
The IUPAC name of [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine (CID 89381392) is [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine?
The canonical SMILES for [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine is CO[C@@H]1C=CC(CN)CC1.
What is the InChIKey of [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine?
The InChIKey is OWZWKRDQUWSDEO-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7-8H,3,5-6,9H2,1H3/t7?,8-/m1/s1.
What are the key properties of [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine?
[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methoxycyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 89381392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).