chempirical

3-Aminocyclohexanol

C6H13NOCAS 6850-39-1115.18 g/mol

Open in Covalent MOL file
H2NOH
AlcoholPrimary amine

Properties

Molecular formula
C6H13NO
Molar mass
115.18 g/mol
Exact mass
115.0997 Da
Boiling point
115 °C (at 0.5 Torr)
logP
0.25Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
6850-39-1
SMILES
NC1CCCC(O)C1
InChIKey
NIQIPYGXPZUDDP-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2

Weigh it out

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

Names and synonyms

4 names
  • Cyclohexanol, 3-amino-
  • (3-Hydroxycyclohexyl)amine
  • 1-Amino-3-hydroxycyclohexane
  • 3-Aminocyclohexan-1-ol

Work with 3-Aminocyclohexanol

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

(1R,3S)-3-Aminocyclopentanol hydrochloride1279032-31-363 % similar 1,3-Cyclohexanediamine3385-21-560 % similar 1,3-Cyclohexanediol504-01-860 % similar 3-Aminocyclobutanol hydrochloride1036260-25-952 % similar Cyclobutanol2919-23-550 % similar 4-Aminocyclohexanol6850-65-348 % similar 3-Methylcyclohexanol591-23-146 % similar 3-Methylcyclohexanamine6850-35-746 % similar

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

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 trans-4-Aminocyclohexanol27489-62-9 1-Pyrrolidineethanol2955-88-6

Elsewhere

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