N,N-bis(2-cyanoethyl)cyclohexanecarboxamide

C13H19N3O — CID 2956715

IUPACN,N-bis(2-cyanoethyl)cyclohexanecarboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CCCCC1
InChIInChI=1S/C13H19N3O/c14-8-4-10-16(11-5-9-15)13(17)12-6-2-1-3-7-12/h12H,1-7,10-11H2
InChIKeySJHYFSYABDFNFN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds5

About N,N-bis(2-cyanoethyl)cyclohexanecarboxamide

N,N-bis(2-cyanoethyl)cyclohexanecarboxamide (PubChem CID 2956715) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)cyclohexanecarboxamide
PubChem CID2956715
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN,N-bis(2-cyanoethyl)cyclohexanecarboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CCCCC1
InChIInChI=1S/C13H19N3O/c14-8-4-10-16(11-5-9-15)13(17)12-6-2-1-3-7-12/h12H,1-7,10-11H2
InChIKeySJHYFSYABDFNFN-UHFFFAOYSA-N
XLogP2.22
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(2-cyanoethyl)cyclohexanecarboxamide 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 N,N-bis(2-cyanoethyl)cyclohexanecarboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)cyclohexanecarboxamide (CID 2956715) is N,N-bis(2-cyanoethyl)cyclohexanecarboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)cyclohexanecarboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)cyclohexanecarboxamide is N#CCCN(CCC#N)C(=O)C1CCCCC1.
What is the InChIKey of N,N-bis(2-cyanoethyl)cyclohexanecarboxamide?
The InChIKey is SJHYFSYABDFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-4-10-16(11-5-9-15)13(17)12-6-2-1-3-7-12/h12H,1-7,10-11H2.
What are the key properties of N,N-bis(2-cyanoethyl)cyclohexanecarboxamide?
N,N-bis(2-cyanoethyl)cyclohexanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)cyclohexanecarboxamide is sourced from PubChem (CID 2956715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).