2-(4-oxobutylamino)guanidine

C5H12N4O — CID 19704325

IUPAC2-(4-oxobutylamino)guanidine
SMILESNC(N)=NNCCCC=O
InChIInChI=1S/C5H12N4O/c6-5(7)9-8-3-1-2-4-10/h4,8H,1-3H2,(H4,6,7,9)
InChIKeyFUGHQNDTXMGQFX-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.26
Rot. Bonds5

About 2-(4-oxobutylamino)guanidine

2-(4-oxobutylamino)guanidine (PubChem CID 19704325) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(4-oxobutylamino)guanidine.

Molecular Properties

Compound Name2-(4-oxobutylamino)guanidine
PubChem CID19704325
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-(4-oxobutylamino)guanidine
SMILESNC(N)=NNCCCC=O
InChIInChI=1S/C5H12N4O/c6-5(7)9-8-3-1-2-4-10/h4,8H,1-3H2,(H4,6,7,9)
InChIKeyFUGHQNDTXMGQFX-UHFFFAOYSA-N
XLogP-1.26
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-oxobutylamino)guanidine 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-(4-oxobutylamino)guanidine?
The IUPAC name of 2-(4-oxobutylamino)guanidine (CID 19704325) is 2-(4-oxobutylamino)guanidine.
What is the SMILES notation for 2-(4-oxobutylamino)guanidine?
The canonical SMILES for 2-(4-oxobutylamino)guanidine is NC(N)=NNCCCC=O.
What is the InChIKey of 2-(4-oxobutylamino)guanidine?
The InChIKey is FUGHQNDTXMGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c6-5(7)9-8-3-1-2-4-10/h4,8H,1-3H2,(H4,6,7,9).
What are the key properties of 2-(4-oxobutylamino)guanidine?
2-(4-oxobutylamino)guanidine has a molecular weight of 144.18 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxobutylamino)guanidine is sourced from PubChem (CID 19704325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).