1-cyclopropyl-3-(dimethylamino)urea

C6H13N3O — CID 637818

IUPAC1-cyclopropyl-3-(dimethylamino)urea
SMILESCN(C)NC(=O)NC1CC1
InChIInChI=1S/C6H13N3O/c1-9(2)8-6(10)7-5-3-4-5/h5H,3-4H2,1-2H3,(H2,7,8,10)
InChIKeyIELUTKWIHOYZGL-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.08
Rot. Bonds2

About 1-cyclopropyl-3-(dimethylamino)urea

1-cyclopropyl-3-(dimethylamino)urea (PubChem CID 637818) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-cyclopropyl-3-(dimethylamino)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(dimethylamino)urea
PubChem CID637818
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-cyclopropyl-3-(dimethylamino)urea
SMILESCN(C)NC(=O)NC1CC1
InChIInChI=1S/C6H13N3O/c1-9(2)8-6(10)7-5-3-4-5/h5H,3-4H2,1-2H3,(H2,7,8,10)
InChIKeyIELUTKWIHOYZGL-UHFFFAOYSA-N
XLogP-0.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(dimethylamino)urea?
The IUPAC name of 1-cyclopropyl-3-(dimethylamino)urea (CID 637818) is 1-cyclopropyl-3-(dimethylamino)urea.
What is the SMILES notation for 1-cyclopropyl-3-(dimethylamino)urea?
The canonical SMILES for 1-cyclopropyl-3-(dimethylamino)urea is CN(C)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(dimethylamino)urea?
The InChIKey is IELUTKWIHOYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-9(2)8-6(10)7-5-3-4-5/h5H,3-4H2,1-2H3,(H2,7,8,10).
What are the key properties of 1-cyclopropyl-3-(dimethylamino)urea?
1-cyclopropyl-3-(dimethylamino)urea has a molecular weight of 143.19 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(dimethylamino)urea is sourced from PubChem (CID 637818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).