3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide

C11H20N2O — CID 115174001

IUPAC3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide
SMILESCN(CCC(C)(C)C)C(=O)CCC#N
InChIInChI=1S/C11H20N2O/c1-11(2,3)7-9-13(4)10(14)6-5-8-12/h5-7,9H2,1-4H3
InChIKeyBWUOPSVQAUIEPJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.18
Rot. Bonds4

About 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide

3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide (PubChem CID 115174001) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide
PubChem CID115174001
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide
SMILESCN(CCC(C)(C)C)C(=O)CCC#N
InChIInChI=1S/C11H20N2O/c1-11(2,3)7-9-13(4)10(14)6-5-8-12/h5-7,9H2,1-4H3
InChIKeyBWUOPSVQAUIEPJ-UHFFFAOYSA-N
XLogP2.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 121569093
Cbqqktxapulbsy-uhfffaoysa-
CID 11458758
N,N-dibutyl-3,3-dimethylbutanamide
CID 2169365
N,N-diethyl-3,3-dimethylbutanamide
CID 4630303
2-cyano-2-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55207998
2-cyano-N,2-diethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61842044
2-cyano-2-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61843598
2-cyano-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65538774
2-cyano-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 113270294
2-cyano-N,2-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114291179
2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114291331
2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114291334

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide?
The IUPAC name of 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide (CID 115174001) is 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide is CN(CCC(C)(C)C)C(=O)CCC#N.
What is the InChIKey of 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide?
The InChIKey is BWUOPSVQAUIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)7-9-13(4)10(14)6-5-8-12/h5-7,9H2,1-4H3.
What are the key properties of 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide?
3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide is sourced from PubChem (CID 115174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).