chempirical

(S)-(+)-1-Cyclohexylethylamine

C8H17NCAS 17430-98-7127.23 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C8H17N
Molar mass
127.23 g/mol
Exact mass
127.1361 Da
logP
1.91Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin 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
17430-98-7
SMILES
C[C@@H](C1CCCCC1)N
InChIKey
XBWOPGDJMAJJDG-ZETCQYMHSA-N
InChI
InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1

Weigh it out

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

Work with (S)-(+)-1-Cyclohexylethylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-1-Cyclohexylethylamine5913-13-3Enantiomer

Similar compounds

Isopropylcyclohexane696-29-748 % similar Bicyclohexyl92-51-344 % similar 1-Cyclohexylethanol1193-81-342 % similar cis-Decalin493-01-639 % similar trans-Decalin493-02-739 % similar Decalin91-17-839 % similar (S)-2-Amino-2-cyclohexyl-ethanol845714-30-938 % similar Methylcyclohexane108-87-238 % similar

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

Same formula

4-Propylpiperidine22398-09-0 Coniine3238-60-6 Cyclooctylamine5452-37-9 Cyclohexylethylamine5459-93-8 1-Butylpyrrolidine767-10-2 N,N-Dimethylcyclohexylamine98-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook