N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide

C9H15N3O — CID 90472209

IUPACN-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide
SMILESCC(=O)N/N=C/C(C)(C)CCC#N
InChIInChI=1S/C9H15N3O/c1-8(13)12-11-7-9(2,3)5-4-6-10/h7H,4-5H2,1-3H3,(H,12,13)/b11-7+
InChIKeyWKSQMPBQQZTQJZ-YRNVUSSQSA-N
MW181.24 g/mol
LogP1.44
Rot. Bonds4

About N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide

N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide (PubChem CID 90472209) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide
PubChem CID90472209
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide
SMILESCC(=O)N/N=C/C(C)(C)CCC#N
InChIInChI=1S/C9H15N3O/c1-8(13)12-11-7-9(2,3)5-4-6-10/h7H,4-5H2,1-3H3,(H,12,13)/b11-7+
InChIKeyWKSQMPBQQZTQJZ-YRNVUSSQSA-N
XLogP1.44
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide 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

dimethylcarbamic acid;5-hydroxyimino-4,4-dimethylpentanenitrile
CID 161144236
2,2-bis(2-cyanoethyl)-N,N'-diethylpropanediamide
CID 13163890
4,4-dimethylpentanenitrile
CID 12656145
methyl 6-cyano-4,4-dimethylhexanoate
CID 134916424
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
9-hydroxy-4,4,7,7-tetramethylnonanenitrile
CID 166904994
4,4-dimethylpentanenitrile;2,2-dimethylpropane
CID 165090579
1-acetamido-3-(2-cyanoethyl)urea
CID 130643239
N-[(Z)-butylideneamino]acetamide
CID 6015140
2-hydroxy-2-methylpentanedinitrile
CID 23346026
4-acetyl-4-butylheptanedinitrile
CID 12659735
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide?
The IUPAC name of N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide (CID 90472209) is N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide.
What is the SMILES notation for N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide?
The canonical SMILES for N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide is CC(=O)N/N=C/C(C)(C)CCC#N.
What is the InChIKey of N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide?
The InChIKey is WKSQMPBQQZTQJZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(13)12-11-7-9(2,3)5-4-6-10/h7H,4-5H2,1-3H3,(H,12,13)/b11-7+.
What are the key properties of N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide?
N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-cyano-2,2-dimethylbutylidene)amino]acetamide is sourced from PubChem (CID 90472209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).