2-amino-N-cyano-N'-methylethanimidamide

C4H8N4 — CID 89189904

IUPAC2-amino-N-cyano-N'-methylethanimidamide
SMILESC/N=C(\CN)NC#N
InChIInChI=1S/C4H8N4/c1-7-4(2-5)8-3-6/h2,5H2,1H3,(H,7,8)
InChIKeyNLWDLXZTVPVWPX-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.96
Rot. Bonds1

About 2-amino-N-cyano-N'-methylethanimidamide

2-amino-N-cyano-N'-methylethanimidamide (PubChem CID 89189904) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 2-amino-N-cyano-N'-methylethanimidamide.

Molecular Properties

Compound Name2-amino-N-cyano-N'-methylethanimidamide
PubChem CID89189904
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name2-amino-N-cyano-N'-methylethanimidamide
SMILESC/N=C(\CN)NC#N
InChIInChI=1S/C4H8N4/c1-7-4(2-5)8-3-6/h2,5H2,1H3,(H,7,8)
InChIKeyNLWDLXZTVPVWPX-UHFFFAOYSA-N
XLogP-0.96
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-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

N-cyano-N'-(cyanomethyl)ethanimidamide
CID 12239842
2-amino-N,N'-dimethylethanimidamide
CID 12621841
N-cyano-N'-propylethanimidamide
CID 20774397
N-cyano-N'-ethylethanimidamide
CID 54220758
N'-methyl-2-(methylamino)ethanimidamide
CID 54309476
N,N'-dimethyl-2,2-bis(methylamino)ethanimidamide
CID 54517115
N'-(2-aminoethyl)-N-cyanoethanimidamide
CID 55285110
1,2,3,6-Tetrahydropyrazin-5-ylcyanamide
CID 87229259
N'-ethyl-2-(ethylamino)ethanimidamide
CID 89014112
N'-[2-(methylamino)ethyl]ethanimidamide
CID 89847047
2-(methylaminomethyl)-4H-imidazol-5-amine
CID 90161355
N,N'-dimethyl-2-(methylamino)ethanimidamide
CID 91138075

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyano-N'-methylethanimidamide?
The IUPAC name of 2-amino-N-cyano-N'-methylethanimidamide (CID 89189904) is 2-amino-N-cyano-N'-methylethanimidamide.
What is the SMILES notation for 2-amino-N-cyano-N'-methylethanimidamide?
The canonical SMILES for 2-amino-N-cyano-N'-methylethanimidamide is C/N=C(\CN)NC#N.
What is the InChIKey of 2-amino-N-cyano-N'-methylethanimidamide?
The InChIKey is NLWDLXZTVPVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-7-4(2-5)8-3-6/h2,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-N-cyano-N'-methylethanimidamide?
2-amino-N-cyano-N'-methylethanimidamide has a molecular weight of 112.14 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyano-N'-methylethanimidamide is sourced from PubChem (CID 89189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).