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

C₈H₁₈N₂CAS 87583-89-9142.25 g/mol

Open in Covalent MOL file

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 Å²
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. Search the SDS library

Identifiers

CAS number

87583-89-9

SMILES

CN[C@H]1CCCC[C@@H]1NC

InChIKey

JRHPOFJADXHYBR-YUMQZZPRSA-N

InChI

InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1

Weigh it out

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Names and synonyms

1 names

(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine

Work with (1S,2S)-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 trans-N,N′-Dimethyl-1,2-cyclohexanediamine67579-81-1

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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