chempirical

N-Isobutyl piperazine

C8H18N2CAS 5308-28-1142.25 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C8H18N2
Molar mass
142.25 g/mol
Exact mass
142.1470 Da
logP
0.55Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
5308-28-1
SMILES
CC(C)CN1CCNCC1
InChIKey
HUUQNWZMQSLPMX-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c1-8(2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(2-Methylpropyl)piperazine

Work with N-Isobutyl piperazine

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

1-(Cyclohexylmethyl)piperazine57184-23-348 % similar 1-(2-Diisopropylaminoethyl)piperazine59955-93-048 % similar 1-Isobutyl-4-piperidinone72544-16-246 % similar 1-Ethylpiperazine5308-25-846 % similar 1-Propylpiperazine21867-64-144 % similar Isopropylpiperazine4318-42-744 % similar 1-(N-Methylpiperidin-3-yl-methyl)piperazine496808-03-844 % similar Diisoamylamine544-00-343 % similar

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

Same formula

1-(1-Methylethyl)-4-piperidinamine127285-08-9 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-9 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-0 1,4-Cyclohexanedimethanamine2549-93-1 1,3-BAC2579-20-6 1-(1-Methylpropyl)piperazine34581-21-0 1-Piperidinepropanamine3529-08-6 1-tert-Butylpiperazine38216-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook