tert-Butyl (3-aminobicyclo[1.1.1]pent-1-yl)carbamate

C₁₀H₁₈N₂O₂CAS 1638767-25-5198.27 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₂
Molar mass: 198.27 g/mol
Exact mass: 198.1368 Da
logP: 1.14Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1638767-25-5

SMILES

CC(C)(C)OC(=O)NC12CC(C1)(C2)N

InChIKey

WDWZFRPJPZEOBM-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O2/c1-8(2,3)14-7(13)12-10-4-9(11,5-10)6-10/h4-6,11H2,1-3H3,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N-{3-aminobicyclo[1.1.1]pentan-1-yl}carbamate

Work with tert-Butyl (3-aminobicyclo[1.1.1]pent-1-yl)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

tert-Butyl N-[1-(2-aminoethyl)cyclopropyl]carbamate753023-60-858 % similar tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-256 % similar tert-Butyl methylcarbamate16066-84-545 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-844 % similar N-Boc-1-aminocyclobutanecarboxylic acid120728-10-144 % similar tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate146552-71-844 % similar 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid115951-16-143 % similar N-Boc-alpha-methyl-D-serine84311-18-243 % similar

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

Same formula

1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-3 (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-5 tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-2 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester198989-07-0 1-Butyl-3-methylimidazolium acetate284049-75-8 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-6

Elsewhere

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