2,3-diamino-3-imino-N,2-dimethylpropanamide

C5H12N4O — CID 89120057

IUPAC2,3-diamino-3-imino-N,2-dimethylpropanamide
SMILES[H]/N=C(\N)C(C)(N)C(=O)NC
InChIInChI=1S/C5H12N4O/c1-5(8,3(6)7)4(10)9-2/h8H2,1-2H3,(H3,6,7)(H,9,10)
InChIKeyVMBXDAUHPUMWJN-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.61
Rot. Bonds2

About 2,3-diamino-3-imino-N,2-dimethylpropanamide

2,3-diamino-3-imino-N,2-dimethylpropanamide (PubChem CID 89120057) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,3-diamino-3-imino-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2,3-diamino-3-imino-N,2-dimethylpropanamide
PubChem CID89120057
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2,3-diamino-3-imino-N,2-dimethylpropanamide
SMILES[H]/N=C(\N)C(C)(N)C(=O)NC
InChIInChI=1S/C5H12N4O/c1-5(8,3(6)7)4(10)9-2/h8H2,1-2H3,(H3,6,7)(H,9,10)
InChIKeyVMBXDAUHPUMWJN-UHFFFAOYSA-N
XLogP-1.61
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-imino-N,2-dimethylpropanamide?
The IUPAC name of 2,3-diamino-3-imino-N,2-dimethylpropanamide (CID 89120057) is 2,3-diamino-3-imino-N,2-dimethylpropanamide.
What is the SMILES notation for 2,3-diamino-3-imino-N,2-dimethylpropanamide?
The canonical SMILES for 2,3-diamino-3-imino-N,2-dimethylpropanamide is [H]/N=C(\N)C(C)(N)C(=O)NC.
What is the InChIKey of 2,3-diamino-3-imino-N,2-dimethylpropanamide?
The InChIKey is VMBXDAUHPUMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-5(8,3(6)7)4(10)9-2/h8H2,1-2H3,(H3,6,7)(H,9,10).
What are the key properties of 2,3-diamino-3-imino-N,2-dimethylpropanamide?
2,3-diamino-3-imino-N,2-dimethylpropanamide has a molecular weight of 144.18 g/mol, XLogP of -1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-imino-N,2-dimethylpropanamide is sourced from PubChem (CID 89120057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).