(E,E)-N-methyl-N-(6,6-dimethyl-2-hepten-4-ynyl)-3-(4-chloro-2-butenyloxy)benzylamine

HCID 19916973
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Basic information

Standard SMILES
CN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC/C=C/CCl)c1
InChIKey
ZYHKNZREIUVKCZ-OCIXRKKMSA-N
Molecular formula
C21H28ClNO
Average molar mass
345.9 g/mol

Names & identifiers

Preferred name
(E,E)-N-methyl-N-(6,6-dimethyl-2-hepten-4-ynyl)-3-(4-chloro-2-butenyloxy)benzylamine
IUPAC
(E)-N-[[3-[(E)-4-chlorobut-2-enoxy]phenyl]methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine

Names & synonyms

SCHEMBL9251827ZYHKNZREIUVKCZ-OCIXRKKMSA-N(E,E)-N-methyl-N-(6,6-dimethyl-2-hepten-4-ynyl)-3-(4-chloro-2-butenyloxy)benzylamine

Database identifiers

PubChem CID
19916973

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
24

Related reactions

2 records
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Compound notes

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