N-Octadecyl-N-[(prop-2-en-1-yl)oxy]octadecan-1-amine

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Basic information

CAS: 137359-61-6
Standard SMILES: C=CCON(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIKey: FBJWIRNTQZKOLG-UHFFFAOYSA-N
Molecular formula: C39H79NO
Average molar mass: 578 g/mol
Monoisotopic mass: 577.61616614

Names & identifiers

Preferred name: N-Octadecyl-N-[(prop-2-en-1-yl)oxy]octadecan-1-amine
IUPAC: N-octadecyl-N-prop-2-enoxyoctadecan-1-amine

Names & synonyms

137359-61-6SCHEMBL4872899N-Octadecyl-N-[(prop-2-en-1-yl)oxy]octadecan-1-amineDTXSID70619426FBJWIRNTQZKOLG-UHFFFAOYSA-NO-Allyl-N,N-dioctadecylhydroxylamine

Database identifiers

CAS: 137359-61-6
PubChem CID: 21885151
DTXSID: DTXSID70619426

Properties

Computed structural properties

XLogP: 18.6
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 37
Heavy atoms: 41
Formal charge: 0
Complexity: 428

Related reactions

3 records

New reaction record

HRID 727986As productuspto-grants-1991_09

HRID 727987As productuspto-grants-1991_09

HRID 958635As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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