2,3-diamino-3-methyliminopropanamide

C4H10N4O — CID 123889935

IUPAC2,3-diamino-3-methyliminopropanamide
SMILESC/N=C(\N)C(N)C(N)=O
InChIInChI=1S/C4H10N4O/c1-8-3(6)2(5)4(7)9/h2H,5H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyVSIGQEBZWWJUPW-UHFFFAOYSA-N
MW130.15 g/mol
LogP-2.21
Rot. Bonds2

About 2,3-diamino-3-methyliminopropanamide

2,3-diamino-3-methyliminopropanamide (PubChem CID 123889935) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 2,3-diamino-3-methyliminopropanamide.

Molecular Properties

Compound Name2,3-diamino-3-methyliminopropanamide
PubChem CID123889935
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name2,3-diamino-3-methyliminopropanamide
SMILESC/N=C(\N)C(N)C(N)=O
InChIInChI=1S/C4H10N4O/c1-8-3(6)2(5)4(7)9/h2H,5H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyVSIGQEBZWWJUPW-UHFFFAOYSA-N
XLogP-2.21
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
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-methyliminopropanamide?
The IUPAC name of 2,3-diamino-3-methyliminopropanamide (CID 123889935) is 2,3-diamino-3-methyliminopropanamide.
What is the SMILES notation for 2,3-diamino-3-methyliminopropanamide?
The canonical SMILES for 2,3-diamino-3-methyliminopropanamide is C/N=C(\N)C(N)C(N)=O.
What is the InChIKey of 2,3-diamino-3-methyliminopropanamide?
The InChIKey is VSIGQEBZWWJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c1-8-3(6)2(5)4(7)9/h2H,5H2,1H3,(H2,6,8)(H2,7,9).
What are the key properties of 2,3-diamino-3-methyliminopropanamide?
2,3-diamino-3-methyliminopropanamide has a molecular weight of 130.15 g/mol, XLogP of -2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-methyliminopropanamide is sourced from PubChem (CID 123889935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).