chempirical

1,3-Cyclohexanediamine

C6H14N2CAS 3385-21-5114.19 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C6H14N2
Molar mass
114.19 g/mol
Exact mass
114.1157 Da
Boiling point
97 °C (at 30 Torr)
logP
0.21Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
3385-21-5
SMILES
NC1CCCC(N)C1
InChIKey
GEQHKFFSPGPGLN-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2

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Names and synonyms

1 names
  • 1,3-Diaminocyclohexane

Work with 1,3-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

Cyclopentylamine1003-03-860 % similar 3-Methylcyclohexanamine6850-35-760 % similar 3-Aminocyclohexanol6850-39-160 % similar Cyclobutylammonium chloride6291-01-659 % similar Cyclohexylamine108-91-856 % similar Cyclododecanamine1502-03-056 % similar Cycloheptylamine5452-35-756 % similar Cyclooctylamine5452-37-956 % 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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