2-(Benzylmethylamino)-3,7,11-trimethyl-3,7-dodecanediol

HCID 19928744

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)CCCC(C)(O)CCCC(C)(O)C(C)NCCc1ccccc1
InChIKey: PYDHANBSBBSHAK-UHFFFAOYSA-N
Molecular formula: C23H41NO2
Average molar mass: 363.6 g/mol

Names & identifiers

Preferred name: 2-(Benzylmethylamino)-3,7,11-trimethyl-3,7-dodecanediol
IUPAC: 3,7,11-trimethyl-2-(2-phenylethylamino)dodecane-3,7-diol

Names & synonyms

SCHEMBL9261709PYDHANBSBBSHAK-UHFFFAOYSA-N2-(benzylmethyl-amino)-3,7,11-trimethyl-3,7-dodecanediol2-(benzylmethylamino)-3,7,11-trimethyl-3,7-dodecanediol2-(benzylmethyl- amino)-3,7,11-trimethyl-3,7-dodecanediol

Database identifiers

PubChem CID: 19928744

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 52.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 26
Formal charge: 0
Complexity: 367

Related reactions

8 records

New reaction record

HRID 136755As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1545035As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1708957As productuspto-grants-1990_08

HRID 1708958As reactantuspto-grants-1990_08

HRID 1885212As productuspto-grants-1992_09

HRID 1885213As reactantuspto-grants-1992_09

HRID 1974899As productuspto-grants-1994_02

HRID 1974900As reactantuspto-grants-1994_02

Compound notes

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