3-amino-3-propan-2-yliminopropanamide

C6H13N3O — CID 22056420

IUPAC3-amino-3-propan-2-yliminopropanamide
SMILESCC(C)/N=C(\N)CC(N)=O
InChIInChI=1S/C6H13N3O/c1-4(2)9-5(7)3-6(8)10/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyHBAYGNMXTQPMOU-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.37
Rot. Bonds3

About 3-amino-3-propan-2-yliminopropanamide

3-amino-3-propan-2-yliminopropanamide (PubChem CID 22056420) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-3-propan-2-yliminopropanamide.

Molecular Properties

Compound Name3-amino-3-propan-2-yliminopropanamide
PubChem CID22056420
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-amino-3-propan-2-yliminopropanamide
SMILESCC(C)/N=C(\N)CC(N)=O
InChIInChI=1S/C6H13N3O/c1-4(2)9-5(7)3-6(8)10/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyHBAYGNMXTQPMOU-UHFFFAOYSA-N
XLogP-0.37
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 3-amino-3-propan-2-yliminopropanamide 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 3-amino-3-propan-2-yliminopropanamide?
The IUPAC name of 3-amino-3-propan-2-yliminopropanamide (CID 22056420) is 3-amino-3-propan-2-yliminopropanamide.
What is the SMILES notation for 3-amino-3-propan-2-yliminopropanamide?
The canonical SMILES for 3-amino-3-propan-2-yliminopropanamide is CC(C)/N=C(\N)CC(N)=O.
What is the InChIKey of 3-amino-3-propan-2-yliminopropanamide?
The InChIKey is HBAYGNMXTQPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(2)9-5(7)3-6(8)10/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10).
What are the key properties of 3-amino-3-propan-2-yliminopropanamide?
3-amino-3-propan-2-yliminopropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-propan-2-yliminopropanamide is sourced from PubChem (CID 22056420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).