chempirical

Decahydroquinoline

C9H17NCAS 2051-28-7139.24 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
Density
0.9147 g/mL (at 14 °C)
Melting point
45.5 °C
Boiling point
207–210 °C
logP
1.93Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2051-28-7
SMILES
C1CCC2NCCCC2C1
InChIKey
POTIYWUALSJREP-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2

Weigh it out

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

Names and synonyms

4 names
  • Quinoline, decahydro-
  • 2-Azabicyclo[4.4.0]decane
  • Perhydroquinoline
  • 1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline

Work with Decahydroquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Bipiperidine531-67-963 % similar (4As,7as)-octahydro-1H-pyrrolo[3,4-B]pyridine151213-40-054 % similar (4Ar,7ar)-octahydro-1H-pyrrolo[3,4-B]pyridine151213-42-254 % similar (2S)-2-(Diphenylmethyl)pyrrolidine119237-64-841 % similar (±)-Desoxypipradrol519-74-440 % similar cis-Decalin493-01-639 % similar trans-Decalin493-02-739 % similar Decalin91-17-839 % similar

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

Same formula

2-Isocyano-2,4,4-trimethylpentane14542-93-9 Nonanenitrile2243-27-8 2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-8 Decahydroisoquinoline6329-61-9 N-2-Propen-1-ylcyclohexanamine6628-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook