chempirical

(S)-2-Aminohexane

C6H15NCAS 70492-67-0101.19 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C6H15N
Molar mass
101.19 g/mol
Exact mass
101.1204 Da
logP
1.52Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
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
70492-67-0
SMILES
CCCC[C@H](C)N
InChIKey
WGBBUURBHXLGFM-LURJTMIESA-N
InChI
InChI=1S/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3/t6-/m0/s1

Weigh it out

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

Work with (S)-2-Aminohexane

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.

(R)-2-Aminohexane70095-40-8Enantiomer

Similar compounds

2-Aminoheptane123-82-085 % similar (±)-2-Octanamine693-16-381 % similar 2-Pentanamine63493-28-770 % similar (±)-1,5-Dimethylhexylamine543-82-857 % similar N,N-Diethyl-1,4-pentanediamine140-80-752 % similar 2-Methylhexane31394-54-450 % similar 2-Methylhexane591-76-450 % similar 2-Amino-6-methylheptane hydrochloride5984-59-850 % similar

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

Same formula

1,3-Dimethylbutylamine108-09-8 Diisopropylamine108-18-9 Hexylamine111-26-2 Triethylamine121-44-8 Ethylbutylamine13360-63-9 Dipropylamine142-84-7 (+)-2-Amino-3,3-dimethylbutane22526-47-2 N-Methylpentylamine25419-06-1

Elsewhere

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