1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide

C13H22N2O — CID 115181768

IUPAC1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C(C)(C)CNC(=O)C1(C#N)CC1
InChIInChI=1S/C13H22N2O/c1-11(2,3)12(4,5)9-15-10(16)13(8-14)6-7-13/h6-7,9H2,1-5H3,(H,15,16)
InChIKeyLRDCDOZMHKJJRH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds3

About 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide

1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide (PubChem CID 115181768) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
PubChem CID115181768
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C(C)(C)CNC(=O)C1(C#N)CC1
InChIInChI=1S/C13H22N2O/c1-11(2,3)12(4,5)9-15-10(16)13(8-14)6-7-13/h6-7,9H2,1-5H3,(H,15,16)
InChIKeyLRDCDOZMHKJJRH-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
CID 104857177
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
CID 111463620
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
2-(methylamino)-N-(2,2,3,3-tetramethylbutyl)acetamide
CID 115152153
ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 97307698
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 111434283

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide (CID 115181768) is 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide is CC(C)(C)C(C)(C)CNC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide?
The InChIKey is LRDCDOZMHKJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2,3)12(4,5)9-15-10(16)13(8-14)6-7-13/h6-7,9H2,1-5H3,(H,15,16).
What are the key properties of 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide?
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115181768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).