Basic information
- Standard SMILES
CNCC/C=C/c1cccc(N)c1- InChIKey
NBKNPHPURHBOBP-GORDUTHDSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
Names & identifiers
- Preferred name
- (E)-N-Methyl-4-(3-aminophenyl)-3-buten-1-amine
- IUPAC
- 3-[(E)-4-(methylamino)but-1-enyl]aniline
Names & synonyms
SCHEMBL6254200NBKNPHPURHBOBP-GORDUTHDSA-N(E)-N-Methyl-4-(3-aminophenyl)-3-buten-1-amine
Database identifiers
- PubChem CID
- 10313348
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Related reactions
3 records
Compound notes
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