5-(12-Aminotridecyl)hexahydropyrrolo[2,1-b]oxazole 

AlkaPlorer ID: AK287611

Synonym: Hexahydro-α-methylpyrrolo[2,1-b]oxazole-5-dodecanamine 

IUPAC Name: 13-(2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl)tridecan-2-amine

Structure

SMILES: CC(N)CCCCCCCCCCCC1CCC2OCCN12

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InChI: InChI=1S/C19H38N2O/c1-17(20)11-9-7-5-3-2-4-6-8-10-12-18-13-14-19-21(18)15-16-22-19/h17-19H,2-16,20H2,1H3

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InChIKey: ZECVQJNFNIZKTB-UHFFFAOYSA-N

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Reference

PubChem CID: 10614926

COCONUT: CNP0200305.1

Properties Information

Molecule Weight: 310.526

TPSA: 38.49

MolLogP: 4.445400000000005

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information