3-propyliminocyclohexen-1-amine

C9H16N2 — CID 167062165

IUPAC3-propyliminocyclohexen-1-amine
SMILESCCC/N=C1/C=C(N)CCC1
InChIInChI=1S/C9H16N2/c1-2-6-11-9-5-3-4-8(10)7-9/h7H,2-6,10H2,1H3/b11-9+
InChIKeyYAGSMQJIPXELFA-PKNBQFBNSA-N
MW152.24 g/mol
LogP1.86
Rot. Bonds2

About 3-propyliminocyclohexen-1-amine

3-propyliminocyclohexen-1-amine (PubChem CID 167062165) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-propyliminocyclohexen-1-amine.

Molecular Properties

Compound Name3-propyliminocyclohexen-1-amine
PubChem CID167062165
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-propyliminocyclohexen-1-amine
SMILESCCC/N=C1/C=C(N)CCC1
InChIInChI=1S/C9H16N2/c1-2-6-11-9-5-3-4-8(10)7-9/h7H,2-6,10H2,1H3/b11-9+
InChIKeyYAGSMQJIPXELFA-PKNBQFBNSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-propyliminocyclohexen-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 3-propyliminocyclohexen-1-amine?
The IUPAC name of 3-propyliminocyclohexen-1-amine (CID 167062165) is 3-propyliminocyclohexen-1-amine.
What is the SMILES notation for 3-propyliminocyclohexen-1-amine?
The canonical SMILES for 3-propyliminocyclohexen-1-amine is CCC/N=C1/C=C(N)CCC1.
What is the InChIKey of 3-propyliminocyclohexen-1-amine?
The InChIKey is YAGSMQJIPXELFA-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-6-11-9-5-3-4-8(10)7-9/h7H,2-6,10H2,1H3/b11-9+.
What are the key properties of 3-propyliminocyclohexen-1-amine?
3-propyliminocyclohexen-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyliminocyclohexen-1-amine is sourced from PubChem (CID 167062165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).