(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide
Properties
- Molecular formula
- C14H26N2O
- Molar mass
- 238.37 g/mol
- Exact mass
- 238.2045 Da
- Melting point
- 111–113 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 44.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
- Stereocentres
- S, S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
136465-81-1SMILES
CC(C)(C)N=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1InChIKey
UPZBXVBPICTBDP-TUAOUCFPSA-NInChI
InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
- 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-, [3S-(3α,4aβ,8aβ)]-
- (S,S,S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide
- [(3S)-(3α,4Aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide
- (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid tert-butylamide
Work with (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide
Similar compounds
(4S)-4-Cyclohexyl-L-proline103201-78-142 % similar
(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide149182-72-942 % similar
trans-4-Cyclohexyl-L-proline monohydrochloride90657-55-939 % similar
Octahydroindole-2-carboxylic acid80828-13-330 % similar
(2S,3AS,7aS)-2-carboxyoctahydroindole80875-98-530 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.