2-propylcyclohex-3-en-1-amine

C9H17N — CID 67951489

IUPAC2-propylcyclohex-3-en-1-amine
SMILESCCCC1C=CCCC1N
InChIInChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h3,6,8-9H,2,4-5,7,10H2,1H3
InChIKeyYYNOFYOGLVYAIT-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds2

About 2-propylcyclohex-3-en-1-amine

2-propylcyclohex-3-en-1-amine (PubChem CID 67951489) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-propylcyclohex-3-en-1-amine
PubChem CID67951489
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-propylcyclohex-3-en-1-amine
SMILESCCCC1C=CCCC1N
InChIInChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h3,6,8-9H,2,4-5,7,10H2,1H3
InChIKeyYYNOFYOGLVYAIT-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-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 2-propylcyclohex-3-en-1-amine?
The IUPAC name of 2-propylcyclohex-3-en-1-amine (CID 67951489) is 2-propylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-propylcyclohex-3-en-1-amine?
The canonical SMILES for 2-propylcyclohex-3-en-1-amine is CCCC1C=CCCC1N.
What is the InChIKey of 2-propylcyclohex-3-en-1-amine?
The InChIKey is YYNOFYOGLVYAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-5-8-6-3-4-7-9(8)10/h3,6,8-9H,2,4-5,7,10H2,1H3.
What are the key properties of 2-propylcyclohex-3-en-1-amine?
2-propylcyclohex-3-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 67951489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).