(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine

C11H20N2 — CID 86678247

IUPAC(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC2=CCCCC2)C1
InChIInChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,12H2/t11-/m0/s1
InChIKeyFERVNEBGVHTRLC-NSHDSACASA-N
MW180.29 g/mol
LogP1.52
Rot. Bonds2

About (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine

(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 86678247) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine
PubChem CID86678247
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC2=CCCCC2)C1
InChIInChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,12H2/t11-/m0/s1
InChIKeyFERVNEBGVHTRLC-NSHDSACASA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-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)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine (CID 86678247) is (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine is N[C@H]1CCN(CC2=CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is FERVNEBGVHTRLC-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,12H2/t11-/m0/s1.
What are the key properties of (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 180.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 86678247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).