N-(3-aminoprop-2-enylidene)methanimidamide

C4H7N3 — CID 123462118

IUPACN-(3-aminoprop-2-enylidene)methanimidamide
SMILES[H]/N=C/N=C/C=CN
InChIInChI=1S/C4H7N3/c5-2-1-3-7-4-6/h1-4,6H,5H2/b2-1?,6-4+,7-3+
InChIKeySFZNUQCAJWIILQ-HKDYVTQCSA-N
MW97.12 g/mol
LogP0.14
Rot. Bonds2

About N-(3-aminoprop-2-enylidene)methanimidamide

N-(3-aminoprop-2-enylidene)methanimidamide (PubChem CID 123462118) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N-(3-aminoprop-2-enylidene)methanimidamide.

Molecular Properties

Compound NameN-(3-aminoprop-2-enylidene)methanimidamide
PubChem CID123462118
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN-(3-aminoprop-2-enylidene)methanimidamide
SMILES[H]/N=C/N=C/C=CN
InChIInChI=1S/C4H7N3/c5-2-1-3-7-4-6/h1-4,6H,5H2/b2-1?,6-4+,7-3+
InChIKeySFZNUQCAJWIILQ-HKDYVTQCSA-N
XLogP0.14
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(3-aminoprop-2-enylidene)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminoprop-2-enylidene)methanimidamide?
The IUPAC name of N-(3-aminoprop-2-enylidene)methanimidamide (CID 123462118) is N-(3-aminoprop-2-enylidene)methanimidamide.
What is the SMILES notation for N-(3-aminoprop-2-enylidene)methanimidamide?
The canonical SMILES for N-(3-aminoprop-2-enylidene)methanimidamide is [H]/N=C/N=C/C=CN.
What is the InChIKey of N-(3-aminoprop-2-enylidene)methanimidamide?
The InChIKey is SFZNUQCAJWIILQ-HKDYVTQCSA-N. The full InChI is InChI=1S/C4H7N3/c5-2-1-3-7-4-6/h1-4,6H,5H2/b2-1?,6-4+,7-3+.
What are the key properties of N-(3-aminoprop-2-enylidene)methanimidamide?
N-(3-aminoprop-2-enylidene)methanimidamide has a molecular weight of 97.12 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoprop-2-enylidene)methanimidamide is sourced from PubChem (CID 123462118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).