1,7-Bis-boc-1,4,7-triazaheptane

C₁₄H₂₉N₃O₄CAS 117499-16-8303.40 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₄H₂₉N₃O₄
Molar mass: 303.40 g/mol
Exact mass: 303.2158 Da
logP: 1.63Crippen estimate
Polar surface area: 88.7 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6

Identifiers

CAS number

117499-16-8

SMILES

CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C

InChIKey

KNORWRWRHNHJAV-UHFFFAOYSA-N

InChI

InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)

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Work with 1,7-Bis-boc-1,4,7-triazaheptane

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

N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-172 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-957 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-257 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-256 % similar Boc-11-aminoundecanoic acid10436-25-654 % similar T-Boc-N-amido-peg1-acid1260092-44-153 % similar N-Boc-(R)-1-amino-2-propanol119768-44-451 % similar 3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-108466-89-351 % similar

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

Elsewhere

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