1,1-diamino-3,3-dimethylurea

C3H10N4O — CID 154021119

IUPAC1,1-diamino-3,3-dimethylurea
SMILESCN(C)C(=O)N(N)N
InChIInChI=1S/C3H10N4O/c1-6(2)3(8)7(4)5/h4-5H2,1-2H3
InChIKeyZRHAQPGGMXXARO-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.28
Rot. Bonds

About 1,1-diamino-3,3-dimethylurea

1,1-diamino-3,3-dimethylurea (PubChem CID 154021119) has the molecular formula C3H10N4O and a molecular weight of 118.14 g/mol. Its IUPAC name is 1,1-diamino-3,3-dimethylurea.

Molecular Properties

Compound Name1,1-diamino-3,3-dimethylurea
PubChem CID154021119
Molecular FormulaC3H10N4O
Molecular Weight118.14 g/mol
Exact Mass118.09
IUPAC Name1,1-diamino-3,3-dimethylurea
SMILESCN(C)C(=O)N(N)N
InChIInChI=1S/C3H10N4O/c1-6(2)3(8)7(4)5/h4-5H2,1-2H3
InChIKeyZRHAQPGGMXXARO-UHFFFAOYSA-N
XLogP-1.28
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,1-diamino-3,3-dimethylurea 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 1,1-diamino-3,3-dimethylurea?
The IUPAC name of 1,1-diamino-3,3-dimethylurea (CID 154021119) is 1,1-diamino-3,3-dimethylurea.
What is the SMILES notation for 1,1-diamino-3,3-dimethylurea?
The canonical SMILES for 1,1-diamino-3,3-dimethylurea is CN(C)C(=O)N(N)N.
What is the InChIKey of 1,1-diamino-3,3-dimethylurea?
The InChIKey is ZRHAQPGGMXXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O/c1-6(2)3(8)7(4)5/h4-5H2,1-2H3.
What are the key properties of 1,1-diamino-3,3-dimethylurea?
1,1-diamino-3,3-dimethylurea has a molecular weight of 118.14 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diamino-3,3-dimethylurea is sourced from PubChem (CID 154021119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).