1,2,5,5-tetramethylcyclohexane-1,3-diamine

C10H22N2 — CID 67683562

IUPAC1,2,5,5-tetramethylcyclohexane-1,3-diamine
SMILESCC1C(N)CC(C)(C)CC1(C)N
InChIInChI=1S/C10H22N2/c1-7-8(11)5-9(2,3)6-10(7,4)12/h7-8H,5-6,11-12H2,1-4H3
InChIKeyYXGXAWXOORCVCV-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds

About 1,2,5,5-tetramethylcyclohexane-1,3-diamine

1,2,5,5-tetramethylcyclohexane-1,3-diamine (PubChem CID 67683562) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1,2,5,5-tetramethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1,2,5,5-tetramethylcyclohexane-1,3-diamine
PubChem CID67683562
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1,2,5,5-tetramethylcyclohexane-1,3-diamine
SMILESCC1C(N)CC(C)(C)CC1(C)N
InChIInChI=1S/C10H22N2/c1-7-8(11)5-9(2,3)6-10(7,4)12/h7-8H,5-6,11-12H2,1-4H3
InChIKeyYXGXAWXOORCVCV-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,5,5-tetramethylcyclohexane-1,3-diamine 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 1,2,5,5-tetramethylcyclohexane-1,3-diamine?
The IUPAC name of 1,2,5,5-tetramethylcyclohexane-1,3-diamine (CID 67683562) is 1,2,5,5-tetramethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1,2,5,5-tetramethylcyclohexane-1,3-diamine?
The canonical SMILES for 1,2,5,5-tetramethylcyclohexane-1,3-diamine is CC1C(N)CC(C)(C)CC1(C)N.
What is the InChIKey of 1,2,5,5-tetramethylcyclohexane-1,3-diamine?
The InChIKey is YXGXAWXOORCVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-7-8(11)5-9(2,3)6-10(7,4)12/h7-8H,5-6,11-12H2,1-4H3.
What are the key properties of 1,2,5,5-tetramethylcyclohexane-1,3-diamine?
1,2,5,5-tetramethylcyclohexane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5-tetramethylcyclohexane-1,3-diamine is sourced from PubChem (CID 67683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).