N-cyano-N-methylethanimidamide

C4H7N3 — CID 11629589

IUPACN-cyano-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C#N
InChIInChI=1S/C4H7N3/c1-4(6)7(2)3-5/h6H,1-2H3/b6-4+
InChIKeyHPJZKYHLFXCFNU-GQCTYLIASA-N
MW97.12 g/mol
LogP0.40
Rot. Bonds

About N-cyano-N-methylethanimidamide

N-cyano-N-methylethanimidamide (PubChem CID 11629589) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N-cyano-N-methylethanimidamide.

Molecular Properties

Compound NameN-cyano-N-methylethanimidamide
PubChem CID11629589
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN-cyano-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C#N
InChIInChI=1S/C4H7N3/c1-4(6)7(2)3-5/h6H,1-2H3/b6-4+
InChIKeyHPJZKYHLFXCFNU-GQCTYLIASA-N
XLogP0.40
TPSA50.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-cyano-N-methylethanimidamide 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

(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
N-hydrazinyl-N-methylethanimidamide
CID 143620098
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
N-(3-aminopropyl)-N-methylethanimidamide
CID 166905303
N-methyl-N-[1-(methylamino)ethyl]ethanimidamide
CID 146392656
N-acetyl-N-[(Z)-2-cyanobut-2-enimidoyl]acetamide
CID 171501539
N-cyclopentyl-N-methylethanimidamide
CID 63173127
2-[ethanimidoyl(methyl)amino]propanoic acid
CID 59020920
2-ethanimidoyl-3-methylbut-2-enenitrile
CID 123280745
1-cyano-1,2-dimethylguanidine
CID 21023741
3-imino-2-methylbutanenitrile
CID 54304607
N-(3,5-dimethylphenyl)-N-methylethanimidamide
CID 63173252

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-methylethanimidamide?
The IUPAC name of N-cyano-N-methylethanimidamide (CID 11629589) is N-cyano-N-methylethanimidamide.
What is the SMILES notation for N-cyano-N-methylethanimidamide?
The canonical SMILES for N-cyano-N-methylethanimidamide is [H]/N=C(\C)N(C)C#N.
What is the InChIKey of N-cyano-N-methylethanimidamide?
The InChIKey is HPJZKYHLFXCFNU-GQCTYLIASA-N. The full InChI is InChI=1S/C4H7N3/c1-4(6)7(2)3-5/h6H,1-2H3/b6-4+.
What are the key properties of N-cyano-N-methylethanimidamide?
N-cyano-N-methylethanimidamide has a molecular weight of 97.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-methylethanimidamide is sourced from PubChem (CID 11629589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).