ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine

C11H23N — CID 145304897

IUPACethane;(1R,6S)-6-propylcyclohex-3-en-1-amine
SMILESCC.CCC[C@H]1CC=CC[C@H]1N
InChIInChI=1S/C9H17N.C2H6/c1-2-5-8-6-3-4-7-9(8)10;1-2/h3-4,8-9H,2,5-7,10H2,1H3;1-2H3/t8-,9+;/m0./s1
InChIKeyFQGLXUWNZRAHKA-OULXEKPRSA-N
MW169.31 g/mol
LogP3.11
Rot. Bonds2

About ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine

ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine (PubChem CID 145304897) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Nameethane;(1R,6S)-6-propylcyclohex-3-en-1-amine
PubChem CID145304897
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;(1R,6S)-6-propylcyclohex-3-en-1-amine
SMILESCC.CCC[C@H]1CC=CC[C@H]1N
InChIInChI=1S/C9H17N.C2H6/c1-2-5-8-6-3-4-7-9(8)10;1-2/h3-4,8-9H,2,5-7,10H2,1H3;1-2H3/t8-,9+;/m0./s1
InChIKeyFQGLXUWNZRAHKA-OULXEKPRSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(1R,6S)-6-propylcyclohex-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 ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine?
The IUPAC name of ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine (CID 145304897) is ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine.
What is the SMILES notation for ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine?
The canonical SMILES for ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine is CC.CCC[C@H]1CC=CC[C@H]1N.
What is the InChIKey of ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine?
The InChIKey is FQGLXUWNZRAHKA-OULXEKPRSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-2-5-8-6-3-4-7-9(8)10;1-2/h3-4,8-9H,2,5-7,10H2,1H3;1-2H3/t8-,9+;/m0./s1.
What are the key properties of ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine?
ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 145304897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).