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'}

Analyze 1-amino-3,3-dimethyl-1-prop-1-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-diamino-3,3-dimethylurea
CID 154021119
ethane;1-[(3Z)-penta-1,3-dien-3-yl]-1-[(Z)-prop-1-enyl]hydrazine
CID 145001437
1,1,3,3-tetramethylurea;urea
CID 158796669
N,N-bis(prop-1-enyl)acetamide
CID 85447022
bis(N,N-dimethylprop-1-en-1-amine);methanamine
CID 175199279
N-methyl-N-[(Z)-prop-1-enyl]hydroxylamine
CID 144947013
1,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 44554794
(Z)-1-[amino-[(Z)-prop-1-enyl]amino]-N-ethylprop-1-en-1-amine;propane
CID 144672698
(Z)-2-amino-N,N-dimethylbut-2-enamide
CID 166848992
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
dimethylcarbamic acid;ethane
CID 143338074

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).