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

C₈H₁₈N₂CAS 894493-95-9142.25 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₈N₂
Molar mass: 142.25 g/mol
Exact mass: 142.1470 Da
logP: 0.82Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
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

894493-95-9

SMILES

CN(C)[C@H]1CCCC[C@@H]1N

InChIKey

FRDZGSBXKJXGNR-YUMQZZPRSA-N

InChI

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

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Work with (1S,2S)-(+)-N,N-Dimethylcyclohexane-1,2-diamine

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

trans-1,2-Diaminocyclohexane1121-22-848 % similar cis-1,2-Cyclohexanediamine1436-59-548 % similar (-)-trans-1,2-Diaminocyclohexane20439-47-848 % similar (+)-trans-1,2-Diaminocyclohexane21436-03-348 % similar 1,2-Diaminocyclohexane694-83-748 % similar 2-Methylcyclohexylamine7003-32-942 % similar N,N-Dimethylcyclohexylamine98-94-240 % similar 2-Aminocyclohexanol6850-38-037 % 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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