1,1-diamino-3,3-dimethylurea

C3H10N4O — CID 154021119

IUPAC1,1-diamino-3,3-dimethylurea
SMILESCN(C)C(=O)N(N)N
InChIInChI=1S/C3H10N4O/c1-6(2)3(8)7(4)5/h4-5H2,1-2H3
InChIKeyZRHAQPGGMXXARO-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.28
Rot. Bonds

About 1,1-diamino-3,3-dimethylurea

1,1-diamino-3,3-dimethylurea (PubChem CID 154021119) has the molecular formula C3H10N4O and a molecular weight of 118.14 g/mol. Its IUPAC name is 1,1-diamino-3,3-dimethylurea.

Molecular Properties

Compound Name1,1-diamino-3,3-dimethylurea
PubChem CID154021119
Molecular FormulaC3H10N4O
Molecular Weight118.14 g/mol
Exact Mass118.09
IUPAC Name1,1-diamino-3,3-dimethylurea
SMILESCN(C)C(=O)N(N)N
InChIInChI=1S/C3H10N4O/c1-6(2)3(8)7(4)5/h4-5H2,1-2H3
InChIKeyZRHAQPGGMXXARO-UHFFFAOYSA-N
XLogP-1.28
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

1,1,3,3-tetramethylurea;urea
CID 158796669
1,1-diaminourea;ethane
CID 174870185
1-amino-3,3-dimethyl-1-prop-1-enylurea
CID 151062010
dimethylcarbamic acid;ethane
CID 143338074
azane;N,N-dimethylacetamide
CID 161145572
1,1,3-trimethyl-3-sulfanylurea
CID 88793669
1-(dimethylamino)-1,3,3-trimethylurea
CID 54151962
dimethylcarbamoyl(methyl)carbamic acid;hydrochloride
CID 88818109
[dimethylcarbamoyl(methyl)amino] methanesulfinate
CID 20709113
1,1-bis(cyanomethyl)-3,3-dimethylurea
CID 116653848
1-amino-3-carbamoyl-1,3-dimethylurea
CID 89086493
bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
CID 157392162

Frequently Asked Questions

What is the IUPAC name of 1,1-diamino-3,3-dimethylurea?
The IUPAC name of 1,1-diamino-3,3-dimethylurea (CID 154021119) is 1,1-diamino-3,3-dimethylurea.
What is the SMILES notation for 1,1-diamino-3,3-dimethylurea?
The canonical SMILES for 1,1-diamino-3,3-dimethylurea is CN(C)C(=O)N(N)N.
What is the InChIKey of 1,1-diamino-3,3-dimethylurea?
The InChIKey is ZRHAQPGGMXXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O/c1-6(2)3(8)7(4)5/h4-5H2,1-2H3.
What are the key properties of 1,1-diamino-3,3-dimethylurea?
1,1-diamino-3,3-dimethylurea has a molecular weight of 118.14 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diamino-3,3-dimethylurea is sourced from PubChem (CID 154021119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).