(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine

C14H28N2O — CID 131915740

IUPAC(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)16-9-13(14(10-16)17-3)15-12-7-5-4-6-8-12/h11-15H,4-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyOYOTZNLEXGCLPY-KBPBESRZSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine

(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 131915740) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
PubChem CID131915740
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)16-9-13(14(10-16)17-3)15-12-7-5-4-6-8-12/h11-15H,4-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyOYOTZNLEXGCLPY-KBPBESRZSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-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-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine (CID 131915740) is (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine is CO[C@H]1CN(C(C)C)C[C@@H]1NC1CCCCC1.
What is the InChIKey of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is OYOTZNLEXGCLPY-KBPBESRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)16-9-13(14(10-16)17-3)15-12-7-5-4-6-8-12/h11-15H,4-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine?
(3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclohexyl-4-methoxy-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 131915740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).