1-amino-3,3-dimethyl-1-prop-1-enylurea

C6H13N3O — CID 151062010

IUPAC1-amino-3,3-dimethyl-1-prop-1-enylurea
SMILESCC=CN(N)C(=O)N(C)C
InChIInChI=1S/C6H13N3O/c1-4-5-9(7)6(10)8(2)3/h4-5H,7H2,1-3H3
InChIKeyMGJCWRXUUWPGJO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.38
Rot. Bonds1

About 1-amino-3,3-dimethyl-1-prop-1-enylurea

1-amino-3,3-dimethyl-1-prop-1-enylurea (PubChem CID 151062010) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-amino-3,3-dimethyl-1-prop-1-enylurea.

Molecular Properties

Compound Name1-amino-3,3-dimethyl-1-prop-1-enylurea
PubChem CID151062010
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-amino-3,3-dimethyl-1-prop-1-enylurea
SMILESCC=CN(N)C(=O)N(C)C
InChIInChI=1S/C6H13N3O/c1-4-5-9(7)6(10)8(2)3/h4-5H,7H2,1-3H3
InChIKeyMGJCWRXUUWPGJO-UHFFFAOYSA-N
XLogP0.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
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-3,3-dimethyl-1-prop-1-enylurea?
The IUPAC name of 1-amino-3,3-dimethyl-1-prop-1-enylurea (CID 151062010) is 1-amino-3,3-dimethyl-1-prop-1-enylurea.
What is the SMILES notation for 1-amino-3,3-dimethyl-1-prop-1-enylurea?
The canonical SMILES for 1-amino-3,3-dimethyl-1-prop-1-enylurea is CC=CN(N)C(=O)N(C)C.
What is the InChIKey of 1-amino-3,3-dimethyl-1-prop-1-enylurea?
The InChIKey is MGJCWRXUUWPGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4-5-9(7)6(10)8(2)3/h4-5H,7H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethyl-1-prop-1-enylurea?
1-amino-3,3-dimethyl-1-prop-1-enylurea has a molecular weight of 143.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethyl-1-prop-1-enylurea is sourced from PubChem (CID 151062010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).