1-N-Cbz-trans-1,4-cyclohexyldiamine

C₁₄H₂₀N₂O₂CAS 149423-77-8248.33 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₄H₂₀N₂O₂
Molar mass: 248.33 g/mol
Exact mass: 248.1525 Da
logP: 2.18Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

149423-77-8

SMILES

C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2

InChIKey

JQVBZZUMWRXDSQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)

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Names and synonyms

1 names

N-Cbz-trans-1,4-cyclohexanediamine

Work with 1-N-Cbz-trans-1,4-cyclohexyldiamine

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

Benzyl 3-oxocyclobutylcarbamate130369-36-763 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-358 % similar S-3-Cbz-amino pyrrolidine-hcl1217631-74-758 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-155 % similar Z-D-Gln-oh13139-52-152 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-250 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-549 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-649 % similar

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

Same formula

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-0 Pindolol13523-86-9 4-Aminomethyl-1-N-Cbz-piperidine157023-34-2 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-9 tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-5 Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-1

Elsewhere

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