2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

C9H17N3O — CID 61061078

IUPAC2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCN(C)CCNC(=O)C(C)(C)C#N
InChIInChI=1S/C9H17N3O/c1-9(2,7-10)8(13)11-5-6-12(3)4/h5-6H2,1-4H3,(H,11,13)
InChIKeyVIBNLJKWALGIQJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.21
Rot. Bonds4

About 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (PubChem CID 61061078) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
PubChem CID61061078
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCN(C)CCNC(=O)C(C)(C)C#N
InChIInChI=1S/C9H17N3O/c1-9(2,7-10)8(13)11-5-6-12(3)4/h5-6H2,1-4H3,(H,11,13)
InChIKeyVIBNLJKWALGIQJ-UHFFFAOYSA-N
XLogP0.21
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
CID 55208240
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-2-propan-2-ylpentanamide
CID 166995281
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
CID 64598100
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-propan-2-yloxypropanamide
CID 88930452
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (CID 61061078) is 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is CN(C)CCNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The InChIKey is VIBNLJKWALGIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,7-10)8(13)11-5-6-12(3)4/h5-6H2,1-4H3,(H,11,13).
What are the key properties of 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide has a molecular weight of 183.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 61061078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).