1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide

C13H20N2O — CID 115671011

IUPAC1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C13H20N2O/c1-10-7-11(8-10)15-12(16)13(9-14)5-3-2-4-6-13/h10-11H,2-8H2,1H3,(H,15,16)
InChIKeyDGKHWXLMRTUCAN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.38
Rot. Bonds2

About 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide

1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide (PubChem CID 115671011) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
PubChem CID115671011
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C13H20N2O/c1-10-7-11(8-10)15-12(16)13(9-14)5-3-2-4-6-13/h10-11H,2-8H2,1H3,(H,15,16)
InChIKeyDGKHWXLMRTUCAN-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-(3-methylcyclobutyl)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

Related Compounds

2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 304852
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CID 4189567
1-cyano-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclobutane-1-carboxamide
CID 71921172
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 86785540
3-methyl-N-(3-methylcyclobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 128518469
N-(1-cyanobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78917893
N-(1-cyanopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78917906
N-(1-cyano-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78954218
N-(1-cyanopropan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78991812
1-cyano-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 79039540
N-(1-cyanopropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81930696
N-(1-cyanopropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930732

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide (CID 115671011) is 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2(C#N)CCCCC2)C1.
What is the InChIKey of 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The InChIKey is DGKHWXLMRTUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-7-11(8-10)15-12(16)13(9-14)5-3-2-4-6-13/h10-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).