cis-1,2-Cyclohexanediamine

C6H14N2CAS 1436-59-5114.19 g/mol

Open in Covalent MOL file
H2NH2N
Primary amine

Properties

Molecular formula
C6H14N2
Molar mass
114.19 g/mol
Exact mass
114.1157 Da
Boiling point
92–93 °C (at 18 Torr)
logP
0.21Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1436-59-5
SMILES
N[C@@H]1CCCC[C@@H]1N
InChIKey
SSJXIUAHEKJCMH-OLQVQODUNA-N
InChI
InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+

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

Names and synonyms

10 names
  • 1,2-Cyclohexanediamine, cis-
  • Rel-(1R,2S)-1,2-Cyclohexanediamine
  • cis-1,2-Diaminocyclohexane
  • meso-1,2-Cyclohexanediamine
  • (R)(S)-1,2-Diaminocyclohexane
  • meso-1,2-Diaminocyclohexane
  • (±)-cis-Cyclohexane-1,2-diamine
  • cis-(1S,2R)-1,2-Diaminocyclohexane
  • (1R,2S)-1,2-Diaminocyclohexane
  • 1,2-Cyclohexanediamine, (1R,2S)-rel-

Work with cis-1,2-Cyclohexanediamine

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.

1,2-Diaminocyclohexane694-83-7Stereo not defined (-)-trans-1,2-Diaminocyclohexane20439-47-8Diastereomer trans-1,2-Diaminocyclohexane1121-22-8Diastereomer (+)-trans-1,2-Diaminocyclohexane21436-03-3Diastereomer (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-0Salt, diastereomer (1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-4Salt, diastereomer

Similar compounds

2-Aminocyclohexanol6850-38-056 % similar 2-Methylcyclohexylamine7003-32-956 % similar (1R,2R)-2-Aminocyclohexanol931-16-856 % similar Oxaliplatin61825-94-348 % similar (SP-4-2)-[rel-(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]platinum63121-00-648 % similar trans-2-Aminocyclohexanol hydrochloride5456-63-348 % similar cis-2-Aminocyclohexanol hydrochloride6936-47-648 % similar (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine894493-95-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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