2-(diaminomethylideneamino)-N-ethylacetamide

C5H12N4O — CID 60723754

IUPAC2-(diaminomethylideneamino)-N-ethylacetamide
SMILESCCNC(=O)CN=C(N)N
InChIInChI=1S/C5H12N4O/c1-2-8-4(10)3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9)
InChIKeyWUEFAQJJYCVJGI-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.60
Rot. Bonds3

About 2-(diaminomethylideneamino)-N-ethylacetamide

2-(diaminomethylideneamino)-N-ethylacetamide (PubChem CID 60723754) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-ethylacetamide
PubChem CID60723754
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-(diaminomethylideneamino)-N-ethylacetamide
SMILESCCNC(=O)CN=C(N)N
InChIInChI=1S/C5H12N4O/c1-2-8-4(10)3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9)
InChIKeyWUEFAQJJYCVJGI-UHFFFAOYSA-N
XLogP-1.60
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diaminomethylideneamino)-N-ethylacetamide 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 2-(diaminomethylideneamino)-N-ethylacetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-ethylacetamide (CID 60723754) is 2-(diaminomethylideneamino)-N-ethylacetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-ethylacetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-ethylacetamide is CCNC(=O)CN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N-ethylacetamide?
The InChIKey is WUEFAQJJYCVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-2-8-4(10)3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9).
What are the key properties of 2-(diaminomethylideneamino)-N-ethylacetamide?
2-(diaminomethylideneamino)-N-ethylacetamide has a molecular weight of 144.18 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-ethylacetamide is sourced from PubChem (CID 60723754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).