2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide

C12H19N3O — CID 18417042

IUPAC2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESN#CC(NC(=O)C1CCCCC1N)C1CC1
InChIInChI=1S/C12H19N3O/c13-7-11(8-5-6-8)15-12(16)9-3-1-2-4-10(9)14/h8-11H,1-6,14H2,(H,15,16)
InChIKeyYMLHBYNFXVKUQO-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.92
Rot. Bonds3

About 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide

2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide (PubChem CID 18417042) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
PubChem CID18417042
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESN#CC(NC(=O)C1CCCCC1N)C1CC1
InChIInChI=1S/C12H19N3O/c13-7-11(8-5-6-8)15-12(16)9-3-1-2-4-10(9)14/h8-11H,1-6,14H2,(H,15,16)
InChIKeyYMLHBYNFXVKUQO-UHFFFAOYSA-N
XLogP0.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide 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-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide (CID 18417042) is 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide is N#CC(NC(=O)C1CCCCC1N)C1CC1.
What is the InChIKey of 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is YMLHBYNFXVKUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-7-11(8-5-6-8)15-12(16)9-3-1-2-4-10(9)14/h8-11H,1-6,14H2,(H,15,16).
What are the key properties of 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide?
2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 18417042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).