chempirical

1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate

C10H21NO3CAS 75178-90-4203.28 g/mol

Open in Covalent MOL file
OONHOH
Alcohol

Properties

Molecular formula
C10H21NO3
Molar mass
203.28 g/mol
Exact mass
203.1521 Da
logP
1.88Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
75178-90-4
SMILES
CC(C)(C)OC(O)=NCCCCCO
InChIKey
DDGNGFVNTZJMMZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)

Weigh it out

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

Names and synonyms

12 names
  • Carbamic acid, N-(5-hydroxypentyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (5-hydroxypentyl)-, 1,1-dimethylethyl ester
  • 5-(N-tert-Butoxycarbonyl)amino-1-pentanol
  • 5-(tert-Butoxycarbonyl)amino-1-pentanol
  • tert-Butyl (5-hydroxypentyl)carbamate
  • N-(tert-Butoxycarbonyl)-5-aminopentanol
  • 5-[[(t-Butyloxy)carbonyl]amino]pentanol
  • 1,1-Dimethylethyl (5-hydroxypentyl)carbamate
  • 5-(Boc-amino)pentan-1-ol
  • (5-Hydroxypentyl)carbamic acid tert-butyl ester
  • 1-(tert-Butoxycarbonylamino)-5-pentanol
  • tert-Butyl N-(5-hydroxypentyl)carbamate

Work with 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate

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)-1,5-diaminopentane51644-96-369 % similar N-Boc-1,6-diaminohexane51857-17-169 % similar 6-[(tert-Butoxycarbonyl)amino]hexanoic acid6404-29-163 % similar N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride65915-94-863 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-063 % similar 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate139115-92-762 % similar Boc-β-alanine3303-84-253 % similar D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)201007-86-549 % similar

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

Same formula

Boc-D-valinol106391-87-1 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-0

Elsewhere

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