2-cyano-N-(3,3-dimethylbutyl)acetamide

C9H16N2O — CID 10942848

IUPAC2-cyano-N-(3,3-dimethylbutyl)acetamide
SMILESCC(C)(C)CCNC(=O)CC#N
InChIInChI=1S/C9H16N2O/c1-9(2,3)5-7-11-8(12)4-6-10/h4-5,7H2,1-3H3,(H,11,12)
InChIKeyPUQIFSVBFVRZDA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.45
Rot. Bonds3

About 2-cyano-N-(3,3-dimethylbutyl)acetamide

2-cyano-N-(3,3-dimethylbutyl)acetamide (PubChem CID 10942848) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyano-N-(3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3,3-dimethylbutyl)acetamide
PubChem CID10942848
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-cyano-N-(3,3-dimethylbutyl)acetamide
SMILESCC(C)(C)CCNC(=O)CC#N
InChIInChI=1S/C9H16N2O/c1-9(2,3)5-7-11-8(12)4-6-10/h4-5,7H2,1-3H3,(H,11,12)
InChIKeyPUQIFSVBFVRZDA-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-cyano-N-(3,3-dimethylbutyl)acetamide (CID 10942848) is 2-cyano-N-(3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-cyano-N-(3,3-dimethylbutyl)acetamide is CC(C)(C)CCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(3,3-dimethylbutyl)acetamide?
The InChIKey is PUQIFSVBFVRZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)5-7-11-8(12)4-6-10/h4-5,7H2,1-3H3,(H,11,12).
What are the key properties of 2-cyano-N-(3,3-dimethylbutyl)acetamide?
2-cyano-N-(3,3-dimethylbutyl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 10942848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).