chempirical

Y-27632

C14H21N3OCAS 146986-50-7247.34 g/mol

Open in Covalent MOL file
H2NONNH
Primary amine

Properties

Molecular formula
C14H21N3O
Molar mass
247.34 g/mol
Exact mass
247.1685 Da
logP
1.60Crippen estimate
Polar surface area
71.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
R, r, Rin SMILES atom order

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
146986-50-7
SMILES
C[C@@H](N)[C@H]1CC[C@H](C(=O)N=c2cc[nH]cc2)CC1
InChIKey
IYOZTVGMEWJPKR-IJLUTSLNSA-N
InChI
InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans-
  • Cyclohexanecarboxamide, 4-(1-aminoethyl)-N-4-pyridinyl-, [4(R)-trans]-
  • trans-4-[(1R)-1-Aminoethyl]-N-4-pyridinylcyclohexanecarboxamide
  • Y 27632
  • (R)-(+)-trans-N-(4-Pyridyl)-4-(1-aminoethyl)cyclohexanecarboxamide
  • (+)-(R)-trans-4-(1-Aminoethyl)-N-(4-pyridyl)cyclohexanecarboxamide

Work with Y-27632

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

N-(Pyridin-4-yl)pivalamide70298-89-437 % similar (S)-(+)-1-Cyclohexylethylamine17430-98-732 % similar (-)-1-Cyclohexylethylamine5913-13-332 % similar N-4-Pyridinylthiourea164670-44-430 % similar

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

Same formula

4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine5294-61-1

Elsewhere

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