N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

HCID 150730

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Basic information

CAS: 33631-44-6
Standard SMILES: CCCCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChIKey: IOIMWLSSNSWJLN-UHFFFAOYSA-N
Molecular formula: C24H37NO
Average molar mass: 355.6 g/mol
Monoisotopic mass: 355.2875148

Names & identifiers

Preferred name: N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC: N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

Names & synonyms

33631-44-615-(Butylamino)retinalSCHEMBL1446603DTXSID30187318(2Z,4E,6Z,8Z)-N-BUTYL-3,7-DIMETHYL-9-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)NONA-2,4,6,8-TETRAENAMIDE

Database identifiers

CAS: 33631-44-6
PubChem CID: 150730
DTXSID: DTXSID30187318

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 627

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