N-(2,6-Diethylphenyl)-N'-[imino(methylamino)methyl]urea
Basic information
- CAS
67165-57-5- Standard SMILES
CCc1cccc(CC)c1NC(=O)NC(N)=NC- InChIKey
IFRGRUBTWVGYDT-UHFFFAOYSA-N- Molecular formula
- C13H20N4O
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.16371127
Names & identifiers
- Preferred name
- N-(2,6-Diethylphenyl)-N'-[imino(methylamino)methyl]urea
- IUPAC
- 1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea
Names & synonyms
67165-57-5N-(2,6-Diethylphenyl)-N'-(imino(methylamino)methyl)ureaN-(2,6-Diethylphenyl)-N'-[imino(methylamino)methyl]ureaRefChem:360213N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)ureaCHEMBL5086953SCHEMBL10939937IFRGRUBTWVGYDT-UHFFFAOYSA-NDTXSID0012038611-(2,6-diethylphenyl)-3-methylamidinourea1-(2',6'-diethylphenyl)-3-methylamidinoureaN-(2,6-Diethylphenyl)-Na(2)-[imino(methylamino)methyl]urea
Show more names
17I
Database identifiers
- CAS
67165-57-5- PubChem CID
- 47512
- DTXSID
DTXSID001203861- ChEMBL
CHEMBL5086953
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
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Compound notes
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