N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide

C10H17N3O — CID 123316361

IUPACN-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide
SMILESCC1(N)CCC(NC(=O)CC#N)CC1
InChIInChI=1S/C10H17N3O/c1-10(12)5-2-8(3-6-10)13-9(14)4-7-11/h8H,2-6,12H2,1H3,(H,13,14)
InChIKeyKALJIBRMAZMHHI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.68
Rot. Bonds2

About N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide

N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide (PubChem CID 123316361) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide
PubChem CID123316361
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide
SMILESCC1(N)CCC(NC(=O)CC#N)CC1
InChIInChI=1S/C10H17N3O/c1-10(12)5-2-8(3-6-10)13-9(14)4-7-11/h8H,2-6,12H2,1H3,(H,13,14)
InChIKeyKALJIBRMAZMHHI-UHFFFAOYSA-N
XLogP0.68
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-cyclopentylacetamide
CID 5093205
2-cyano-N-(oxan-4-yl)acetamide
CID 43610224
2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 7162022
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
butyl 4-[(2-cyanoacetyl)amino]piperidine-1-carboxylate
CID 108558979
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
2-cyano-N-(2-methyl-2-propan-2-ylcyclopropyl)acetamide
CID 131198042
1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
CID 165468943
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
2-cyano-N-[(1-methylcyclopropyl)methyl]acetamide
CID 104919970
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide?
The IUPAC name of N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide (CID 123316361) is N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide.
What is the SMILES notation for N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide?
The canonical SMILES for N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide is CC1(N)CCC(NC(=O)CC#N)CC1.
What is the InChIKey of N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide?
The InChIKey is KALJIBRMAZMHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(12)5-2-8(3-6-10)13-9(14)4-7-11/h8H,2-6,12H2,1H3,(H,13,14).
What are the key properties of N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide?
N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide has a molecular weight of 195.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-methylcyclohexyl)-2-cyanoacetamide is sourced from PubChem (CID 123316361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).