chempirical

Quinuclidine

C7H13NCAS 100-76-5111.19 g/mol

Open in Covalent MOL file
N
Tertiary amine

Properties

Molecular formula
C7H13N
Molar mass
111.19 g/mol
Exact mass
111.1048 Da
Melting point
158 °C
Boiling point
100–105 °C (at 4 Torr)
logP
1.10Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
100-76-5
SMILES
C1CN2CCC1CC2
InChIKey
SBYHFKPVCBCYGV-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2

Weigh it out

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

Names and synonyms

5 names
  • 1-Azabicyclo[2.2.2]octane
  • 1,4-Ethylenepiperidine
  • 1,4-Ethanopiperidine
  • ABCO
  • NSC 168431

Work with Quinuclidine

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

3-Methyl-N,N-bis(3-methylbutyl)-1-butanamine645-41-047 % similar Dabco280-57-942 % similar 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-935 % similar (±)-3-Quinuclidinol1619-34-732 % similar (R)-3-Quinuclidinol25333-42-032 % similar 1-(Phenylmethyl)-4-piperidinemethanol67686-01-531 % similar 1-Ethyl-4-piperidinol3518-83-030 % similar 1-Ethyl-4-piperidinamine50534-45-730 % similar

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

Same formula

2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-6 α-Cyclopropylcyclopropanemethanamine13375-29-6 Diallylmethylamine2424-01-3 Diethylpropargylamine4079-68-9 Heptanenitrile629-08-3

Elsewhere

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