N-(tert-Butoxycarbonyl)-1,5-diaminopentane

C₁₀H₂₂N₂O₂CAS 51644-96-3202.30 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₂₂N₂O₂
Molar mass: 202.30 g/mol
Exact mass: 202.1681 Da
logP: 1.84Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H314 Causes severe skin burns and eye damage83.3% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

51644-96-3

SMILES

CC(C)(C)OC(O)=NCCCCCN

InChIKey

DPLOGSUBQDREOU-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)

Weigh it out

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

Names and synonyms

16 names · show all

Carbamic acid, N-(5-aminopentyl)-, 1,1-dimethylethyl ester
Carbamic acid, (5-aminopentyl)-, 1,1-dimethylethyl ester
5-(N-tert-Butoxycarbonyl)amino-1-aminopentane
N-(tert-Butoxycarbonyl)-1,5-pentanediamine
5-[(tert-Butoxycarbonyl)amino]-1-pentylamine
5-(tert-Butoxycarbonylamino)pentanamine
tert-Butyl 5-aminopentylcarbamate
5-(tert-Butoxycarbonylamino)-1-aminopentane
5-Aminopentylcarbamic acid tert-butyl ester
N-Boc-cadaverine
1,1-Dimethylethyl N-(5-aminopentyl)carbamate
Mono-N-[(tert-Butoxy)carbonyl]cadaverine
N-Boc-1,5-diaminopentane
Mono-N-Boc-1,5-pentanediamine
N-Boc-1,5-pentanediamine
N-Boc-1,5-pentylenediamine

Work with N-(tert-Butoxycarbonyl)-1,5-diaminopentane

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-Boc-1,6-diaminohexane51857-17-1100 % similar tert-Butyl (6-aminohexyl)carbamate monohydrochloride65915-94-891 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-087 % similar N-Boc-ethylenediamine57260-73-875 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-469 % similar 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-063 % similar 6-[(tert-Butoxycarbonyl)amino]hexanoic acid6404-29-162 % similar Boc-β-alanine3303-84-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate144222-23-1

Elsewhere

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