1-amino-3-(2-methylpropyl)urea

C5H13N3O — CID 23273394

IUPAC1-amino-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NN
InChIInChI=1S/C5H13N3O/c1-4(2)3-7-5(9)8-6/h4H,3,6H2,1-2H3,(H2,7,8,9)
InChIKeyWJBSWVUVFXMIBD-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.18
Rot. Bonds2

About 1-amino-3-(2-methylpropyl)urea

1-amino-3-(2-methylpropyl)urea (PubChem CID 23273394) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-amino-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-amino-3-(2-methylpropyl)urea
PubChem CID23273394
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-amino-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NN
InChIInChI=1S/C5H13N3O/c1-4(2)3-7-5(9)8-6/h4H,3,6H2,1-2H3,(H2,7,8,9)
InChIKeyWJBSWVUVFXMIBD-UHFFFAOYSA-N
XLogP-0.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylpropyl)urea?
The IUPAC name of 1-amino-3-(2-methylpropyl)urea (CID 23273394) is 1-amino-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-amino-3-(2-methylpropyl)urea?
The canonical SMILES for 1-amino-3-(2-methylpropyl)urea is CC(C)CNC(=O)NN.
What is the InChIKey of 1-amino-3-(2-methylpropyl)urea?
The InChIKey is WJBSWVUVFXMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(2)3-7-5(9)8-6/h4H,3,6H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-amino-3-(2-methylpropyl)urea?
1-amino-3-(2-methylpropyl)urea has a molecular weight of 131.18 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylpropyl)urea is sourced from PubChem (CID 23273394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).