chempirical

(1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2CAS 68737-65-5142.25 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
R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
68737-65-5
SMILES
CN[C@@H]1CCCC[C@H]1NC
InChIKey
JRHPOFJADXHYBR-HTQZYQBOSA-N
InChI
InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1

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Names and synonyms

1 names
  • trans-N,N'-Dimethyl-1,2-cyclohexanediamine

Work with (1R,2R)-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.

trans-N,N′-Dimethyl-1,2-cyclohexanediamine67579-81-1Enantiomer (1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine87583-89-9Enantiomer 1-N,2-N-Dimethylcyclohexane-1,2-diamine61798-24-1Stereo not defined

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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