chempirical

L-Leucinol

C6H15NOCAS 7533-40-6117.19 g/mol

Open in Covalent MOL file
NH2OH
AlcoholPrimary amine

Properties

Molecular formula
C6H15NO
Molar mass
117.19 g/mol
Exact mass
117.1154 Da
Melting point
56–58 °C
Boiling point
100–105 °C (at 10 Torr)
logP
0.35Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7533-40-6
SMILES
CC(C)C[C@H](N)CO
InChIKey
VPSSPAXIFBTOHY-LURJTMIESA-N
InChI
InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • 1-Pentanol, 2-amino-4-methyl-, (2S)-
  • 1-Pentanol, 2-amino-4-methyl-, (S)-
  • 1-Pentanol, 2-amino-4-methyl-, L-
  • (2S)-2-Amino-4-methyl-1-pentanol
  • (2S)-1-Hydroxy-4-methylpentan-2-amine
  • L-(+)-Leucinol
  • (S)-2-Amino-4-methylpentanol
  • (S)-2-Amino-4-methyl-1-pentanol
  • (S)-Leucinol
  • (+)-Leucinol
  • (S)-(+)-2-Amino-4-methyl-1-pentanol
  • (1S)-1-(Hydroxymethyl)-3-methylbutylamine
  • (S)-(+)-Leucinol
  • ((S)-1-(Hydroxymethyl)-3-methylbutyl)amine
  • (2S)-2-Amino-4-methylpentan-1-ol

Work with L-Leucinol

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

Serinol534-03-255 % similar 2-Amino-1-butanol13054-87-050 % similar (R)-2-Amino-1-butanol5856-63-350 % similar 2-Amino-1-butanol96-20-850 % similar 2,6-Dimethyl-4-heptanol108-82-743 % similar 1,3-Dimethylbutylamine108-09-842 % similar L-Alaninol2749-11-342 % similar Alaninol6168-72-542 % similar

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

Same formula

Diethylethanolamine100-37-8 Butylethanolamine111-75-1 (2R)-2-Amino-3,3-dimethylbutan-1-ol112245-09-7 (2S)-2-Amino-3,3-dimethyl-1-butanol112245-13-3 (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-2 3-Isopropoxypropylamine2906-12-9 6-Amino-1-hexanol4048-33-3 2-(tert-Butylamino)ethanol4620-70-6

Elsewhere

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