chempirical

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

C8H18N2CAS 67579-81-1142.25 g/mol

Open in Covalent MOL file
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

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

Weigh it out

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

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

Similar compounds

Methylcyclohexylamine100-60-753 % similar 2,2′-Bipiperidine531-67-940 % similar N-Methyl-4-piperidinamine45584-07-436 % similar Decahydroquinoline2051-28-735 % similar (3R)-N-Methyl-3-pyrrolidinamine139015-33-133 % similar trans-4-(Methylamino)cyclohexanol22348-44-333 % similar 3-(Methylamino)piperidine dihydrochloride127294-77-332 % similar 4-Piperidinamine, N-methyl-, hydrochloride (1:2)1220039-56-432 % 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 1,4-Cyclohexanedimethanamine2549-93-1 1,3-Bac2579-20-6 1-(1-Methylpropyl)piperazine34581-21-0 1-Piperidinepropanamine3529-08-6 N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine4559-79-9 1,4-Diethylpiperazine6483-50-7

Elsewhere

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