2,3-diiminocyclohexan-1-amine

C6H11N3 — CID 88990706

IUPAC2,3-diiminocyclohexan-1-amine
SMILES[H]/N=C1C(=N\[H])\CCCC\1N
InChIInChI=1S/C6H11N3/c7-4-2-1-3-5(8)6(4)9/h4,8-9H,1-3,7H2/b8-5+,9-6-
InChIKeyYLDSAZLZSDKCFV-OWNHSFIXSA-N
MW125.17 g/mol
LogP0.54
Rot. Bonds

About 2,3-diiminocyclohexan-1-amine

2,3-diiminocyclohexan-1-amine (PubChem CID 88990706) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,3-diiminocyclohexan-1-amine.

Molecular Properties

Compound Name2,3-diiminocyclohexan-1-amine
PubChem CID88990706
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2,3-diiminocyclohexan-1-amine
SMILES[H]/N=C1C(=N\[H])\CCCC\1N
InChIInChI=1S/C6H11N3/c7-4-2-1-3-5(8)6(4)9/h4,8-9H,1-3,7H2/b8-5+,9-6-
InChIKeyYLDSAZLZSDKCFV-OWNHSFIXSA-N
XLogP0.54
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,3-diiminocyclohexan-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 2,3-diiminocyclohexan-1-amine?
The IUPAC name of 2,3-diiminocyclohexan-1-amine (CID 88990706) is 2,3-diiminocyclohexan-1-amine.
What is the SMILES notation for 2,3-diiminocyclohexan-1-amine?
The canonical SMILES for 2,3-diiminocyclohexan-1-amine is [H]/N=C1C(=N\[H])\CCCC\1N.
What is the InChIKey of 2,3-diiminocyclohexan-1-amine?
The InChIKey is YLDSAZLZSDKCFV-OWNHSFIXSA-N. The full InChI is InChI=1S/C6H11N3/c7-4-2-1-3-5(8)6(4)9/h4,8-9H,1-3,7H2/b8-5+,9-6-.
What are the key properties of 2,3-diiminocyclohexan-1-amine?
2,3-diiminocyclohexan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiminocyclohexan-1-amine is sourced from PubChem (CID 88990706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).