1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine

C12H18N4 — CID 134299817

IUPAC1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine
SMILES[H]/N=C(\C1CCCCC1)n1cccc(N)/c1=N\[H]
InChIInChI=1S/C12H18N4/c13-10-7-4-8-16(12(10)15)11(14)9-5-2-1-3-6-9/h4,7-9,14-15H,1-3,5-6,13H2/b14-11+,15-12+
InChIKeyALBKWRNCKAWZLI-LCPPQYOVSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds1

About 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine

1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine (PubChem CID 134299817) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine
PubChem CID134299817
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine
SMILES[H]/N=C(\C1CCCCC1)n1cccc(N)/c1=N\[H]
InChIInChI=1S/C12H18N4/c13-10-7-4-8-16(12(10)15)11(14)9-5-2-1-3-6-9/h4,7-9,14-15H,1-3,5-6,13H2/b14-11+,15-12+
InChIKeyALBKWRNCKAWZLI-LCPPQYOVSA-N
XLogP1.96
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-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 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine (CID 134299817) is 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine is [H]/N=C(\C1CCCCC1)n1cccc(N)/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine?
The InChIKey is ALBKWRNCKAWZLI-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H18N4/c13-10-7-4-8-16(12(10)15)11(14)9-5-2-1-3-6-9/h4,7-9,14-15H,1-3,5-6,13H2/b14-11+,15-12+.
What are the key properties of 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine?
1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine has a molecular weight of 218.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-2-iminopyridin-3-amine is sourced from PubChem (CID 134299817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).