3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine

C10H20N2 — CID 54402523

IUPAC3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine
SMILESCC1(C)CC(N)=CC(C)(CN)C1
InChIInChI=1S/C10H20N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h5H,4,6-7,11-12H2,1-3H3
InChIKeyVOKXLOHOBXFLSL-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.61
Rot. Bonds1

About 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine

3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine (PubChem CID 54402523) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine
PubChem CID54402523
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine
SMILESCC1(C)CC(N)=CC(C)(CN)C1
InChIInChI=1S/C10H20N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h5H,4,6-7,11-12H2,1-3H3
InChIKeyVOKXLOHOBXFLSL-UHFFFAOYSA-N
XLogP1.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-3,5,5-trimethylcyclohexen-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-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine?
The IUPAC name of 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine (CID 54402523) is 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine.
What is the SMILES notation for 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine?
The canonical SMILES for 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine is CC1(C)CC(N)=CC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine?
The InChIKey is VOKXLOHOBXFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h5H,4,6-7,11-12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine?
3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3,5,5-trimethylcyclohexen-1-amine is sourced from PubChem (CID 54402523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).