2-(1-aminobutylideneamino)acetamide

C6H13N3O — CID 63173813

IUPAC2-(1-aminobutylideneamino)acetamide
SMILESCCC/C(N)=N\CC(N)=O
InChIInChI=1S/C6H13N3O/c1-2-3-5(7)9-4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyKTLWVOZWVOPYMF-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.37
Rot. Bonds4

About 2-(1-aminobutylideneamino)acetamide

2-(1-aminobutylideneamino)acetamide (PubChem CID 63173813) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)acetamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)acetamide
PubChem CID63173813
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-(1-aminobutylideneamino)acetamide
SMILESCCC/C(N)=N\CC(N)=O
InChIInChI=1S/C6H13N3O/c1-2-3-5(7)9-4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyKTLWVOZWVOPYMF-UHFFFAOYSA-N
XLogP-0.37
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.37
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 2-(1-aminobutylideneamino)acetamide 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-(1-aminobutylideneamino)acetamide?
The IUPAC name of 2-(1-aminobutylideneamino)acetamide (CID 63173813) is 2-(1-aminobutylideneamino)acetamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)acetamide?
The canonical SMILES for 2-(1-aminobutylideneamino)acetamide is CCC/C(N)=N\CC(N)=O.
What is the InChIKey of 2-(1-aminobutylideneamino)acetamide?
The InChIKey is KTLWVOZWVOPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-3-5(7)9-4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 2-(1-aminobutylideneamino)acetamide?
2-(1-aminobutylideneamino)acetamide has a molecular weight of 143.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)acetamide is sourced from PubChem (CID 63173813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).