1-(dimethylamino)-3-methylurea

C4H11N3O — CID 11819071

IUPAC1-(dimethylamino)-3-methylurea
SMILESCNC(=O)NN(C)C
InChIInChI=1S/C4H11N3O/c1-5-4(8)6-7(2)3/h1-3H3,(H2,5,6,8)
InChIKeyARALPBQCGKVIJW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.61
Rot. Bonds1

About 1-(dimethylamino)-3-methylurea

1-(dimethylamino)-3-methylurea (PubChem CID 11819071) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methylurea.

Molecular Properties

Compound Name1-(dimethylamino)-3-methylurea
PubChem CID11819071
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name1-(dimethylamino)-3-methylurea
SMILESCNC(=O)NN(C)C
InChIInChI=1S/C4H11N3O/c1-5-4(8)6-7(2)3/h1-3H3,(H2,5,6,8)
InChIKeyARALPBQCGKVIJW-UHFFFAOYSA-N
XLogP-0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.61
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-(dimethylamino)-3-methylurea?
The IUPAC name of 1-(dimethylamino)-3-methylurea (CID 11819071) is 1-(dimethylamino)-3-methylurea.
What is the SMILES notation for 1-(dimethylamino)-3-methylurea?
The canonical SMILES for 1-(dimethylamino)-3-methylurea is CNC(=O)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-methylurea?
The InChIKey is ARALPBQCGKVIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-5-4(8)6-7(2)3/h1-3H3,(H2,5,6,8).
What are the key properties of 1-(dimethylamino)-3-methylurea?
1-(dimethylamino)-3-methylurea has a molecular weight of 117.15 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methylurea is sourced from PubChem (CID 11819071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).