(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine

C12H23NO2 — CID 58035108

IUPAC(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine
SMILESCO[C@@H]1COCC[C@@H]1NC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-14-12-9-15-8-7-11(12)13-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyDFIWMOPGQBGXRQ-NWDGAFQWSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds3

About (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine

(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine (PubChem CID 58035108) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine.

Molecular Properties

Compound Name(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine
PubChem CID58035108
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine
SMILESCO[C@@H]1COCC[C@@H]1NC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-14-12-9-15-8-7-11(12)13-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyDFIWMOPGQBGXRQ-NWDGAFQWSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-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 (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine?
The IUPAC name of (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine (CID 58035108) is (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine.
What is the SMILES notation for (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine?
The canonical SMILES for (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine is CO[C@@H]1COCC[C@@H]1NC1CCCCC1.
What is the InChIKey of (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine?
The InChIKey is DFIWMOPGQBGXRQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12-9-15-8-7-11(12)13-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine?
(3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclohexyl-3-methoxyoxan-4-amine is sourced from PubChem (CID 58035108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).