1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide

C14H25N3O — CID 54873665

IUPAC1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)C1(N)CCCCC1
InChIInChI=1S/C14H25N3O/c1-12(2)11-17(10-6-9-15)13(18)14(16)7-4-3-5-8-14/h12H,3-8,10-11,16H2,1-2H3
InChIKeyNTLYRJDKYMUWMP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.05
Rot. Bonds5

About 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide

1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 54873665) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID54873665
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)C1(N)CCCCC1
InChIInChI=1S/C14H25N3O/c1-12(2)11-17(10-6-9-15)13(18)14(16)7-4-3-5-8-14/h12H,3-8,10-11,16H2,1-2H3
InChIKeyNTLYRJDKYMUWMP-UHFFFAOYSA-N
XLogP2.05
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)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 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide (CID 54873665) is 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide is CC(C)CN(CCC#N)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is NTLYRJDKYMUWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)11-17(10-6-9-15)13(18)14(16)7-4-3-5-8-14/h12H,3-8,10-11,16H2,1-2H3.
What are the key properties of 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide?
1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54873665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).