Decahydroisoquinoline

C9H17NCAS 6329-61-9139.24 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C9H17N
Molar mass
139.24 g/mol
Exact mass
139.1361 Da
Melting point
180 °C
Boiling point
97–98 °C (at 15 Torr)
logP
1.79Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6329-61-9
SMILES
C1CCC2CNCCC2C1
InChIKey
NENLYAQPNATJSU-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Isoquinoline, decahydro-
  • Perhydroisoquinoline
  • NSC 43479
  • Octahydroisoquinoline
  • 1,2,3,4,4a,5,6,7,8,8a-Decahydroisoquinoline

Work with Decahydroisoquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-167 % similar Octahydroisoindole21850-12-467 % similar Octahydrocyclopenta[c]pyrrole hydrochloride112626-50-350 % similar 4,4′-Dipiperidine dihydrochloride78619-84-848 % similar cis-Decalin493-01-647 % similar trans-Decalin493-02-747 % similar Decalin91-17-847 % similar Bicyclohexyl92-51-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Isocyano-2,4,4-trimethylpentane14542-93-9 Decahydroquinoline2051-28-7 Nonanenitrile2243-27-8 2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-8 N-2-Propen-1-ylcyclohexanamine6628-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia