trans-1,4-Diaminocyclohexane

C₆H₁₄N₂CAS 2615-25-0114.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Melting point: 258–260 °C
logP: 0.21Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: r, rin SMILES atom order

Identifiers

CAS number

2615-25-0

SMILES

N[C@H]1CC[C@H](N)CC1

InChIKey

VKIRRGRTJUUZHS-IZLXSQMJNA-N

InChI

InChI=1/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/t5-,6-

Weigh it out

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

Names and synonyms

4 names

1,4-Cyclohexanediamine, trans-
trans-1,4-Cyclohexanediamine
trans-1,4-Bisaminocyclohexane
1,4-trans-Diaminocyclohexane

Work with trans-1,4-Diaminocyclohexane

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

1,4-Diaminocyclohexane3114-70-3100 % similar Cyclopropylamine765-30-0100 % similar 4,4'-Diaminodicyclohexylmethane1761-71-364 % similar Cyclohexylamine108-91-862 % similar Cyclododecanamine1502-03-062 % similar Cycloheptylamine5452-35-762 % similar Cyclooctylamine5452-37-962 % similar trans-4-Methylcyclohexylamine2523-55-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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