trans-N,N′-Dimethyl-1,2-cyclohexanediamine

C8H18N2CAS 67579-81-1142.25 g/mol

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HNNH
Secondary amine

Properties

Molecular formula
C8H18N2
Molar mass
142.25 g/mol
Exact mass
142.1470 Da
logP
0.74Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
S, 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
67579-81-1
SMILES
CN[C@H]1CCCC[C@@H]1NC
InChIKey
JRHPOFJADXHYBR-YZYOREDDNA-N
InChI
InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/s2

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Names and synonyms

7 names
  • 1,2-Cyclohexanediamine, N1,N2-dimethyl-, (1R,2R)-rel-
  • 1,2-Cyclohexanediamine, N,N′-dimethyl-, trans-
  • 1,2-Cyclohexanediamine, N,N′-dimethyl-, (1R,2R)-rel-
  • Rel-(1R,2R)-N1,N2-Dimethyl-1,2-cyclohexanediamine
  • N,N′-Dimethyl-trans-1,2-cyclohexanediamine
  • trans-1,2-Bis(methylamino)cyclohexane
  • trans-N,N′-Dimethyl-1,2-diaminocyclohexane

Work with trans-N,N′-Dimethyl-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.

(1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine68737-65-5Enantiomer 1-N,2-N-Dimethylcyclohexane-1,2-diamine61798-24-1Stereo not defined (1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine87583-89-9

Similar compounds

Methylcyclohexylamine100-60-753 % similar 2,2′-Bipiperidyl531-67-940 % similar N-Methyl-4-piperidinamine45584-07-436 % similar Decahydroquinoline2051-28-735 % similar (3S)-(-)-3-(Methylamino)pyrrolidine139015-32-033 % similar (3R)-N-Methyl-3-pyrrolidinamine139015-33-133 % similar trans-4-(Methylamino)cyclohexanol22348-44-333 % similar 3-(Methylamino)pyrrolidine83030-08-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1-Methylethyl)-4-piperidinamine127285-08-9 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-9 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-0 1,4-Cyclohexanedimethanamine2549-93-1 1,3-BAC2579-20-6 1-(Butan-2-yl)piperazine34581-21-0 Piperidine-1-propylamine3529-08-6 1-tert-Butylpiperazine38216-72-7

Elsewhere

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