Retinylamine

HCID 444596

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Basic information

CAS: 43219-27-8
Standard SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CN)C(C)(C)CCC1
InChIKey: ILYSIVSSNXQZQG-OVSJKPMPSA-N
Molecular formula: C20H31N
Average molar mass: 285.5 g/mol
Monoisotopic mass: 285.24564999

Overview

structure

Names & identifiers

Preferred name: Retinylamine
IUPAC: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine

Names & synonyms

retinylamineRetinamine11-cis-Ret-NH243219-27-83GE3QR8C45RefChem:178992trans-Retinylamine(2~{e},4~{e},6~{e},8~{e})-3,7-Dimethyl-9-(2,6,6-Trimethylcyclohexen-1-Yl)nona-2,4,6,8-Tetraen-1-Aminecis-retinylamine(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amineUNII-3GE3QR8C45CHEMBL4566718

Show more names

SCHEMBL13748392Q274650822,4,6,8-NONATETRAENYLAMINE, 3,7-DIMETHYL-9-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-RNE

Database identifiers

CAS: 43219-27-8
PubChem CID: 444596
ChEMBL: CHEMBL4566718
UNII: 3GE3QR8C45
Nikkaji: J1.130.369B

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 496

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