1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide

C13H22N2O — CID 104828325

IUPAC1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)C(C)(C)C)C1
InChIInChI=1S/C13H22N2O/c1-9-6-13(7-9,8-14)11(16)15-10(2)12(3,4)5/h9-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyRJRDGIBFAWODIV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds2

About 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide (PubChem CID 104828325) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
PubChem CID104828325
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)C(C)(C)C)C1
InChIInChI=1S/C13H22N2O/c1-9-6-13(7-9,8-14)11(16)15-10(2)12(3,4)5/h9-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyRJRDGIBFAWODIV-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-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

1-cyano-N-[(2S)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 166567883
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 113234659
N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
CID 114417346
1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide
CID 80502292
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502263
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80502059
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80598331
1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide
CID 80592452
1-cyano-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 113255770
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 114142909
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80502397

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide (CID 104828325) is 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC(C)C(C)(C)C)C1.
What is the InChIKey of 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is RJRDGIBFAWODIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-13(7-9,8-14)11(16)15-10(2)12(3,4)5/h9-10H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 104828325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).