chempirical

Rosiptor

C20H35NO2CAS 782487-28-9321.51 g/mol

Open in Covalent MOL file
HOHONH2
AlcoholAlkenePrimary amine

Properties

Molecular formula
C20H35NO2
Molar mass
321.51 g/mol
Exact mass
321.2668 Da
logP
3.10Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
R, S, S, S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
782487-28-9
SMILES
C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CN)CCC3=C)C
InChIKey
MDEJTPWQNNMAQF-BVMLLJBZSA-N
InChI
InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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