3-Boc-aminomethylpyrrolidine

C10H20N2O2CAS 149366-79-0200.28 g/mol

Open in Covalent MOL file
OONHNH
CarbamateSecondary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.12Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
149366-79-0
SMILES
CC(C)(C)OC(=O)NCC1CCNC1
InChIKey
WIEJVMZWPIUWHO-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)

Weigh it out

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Names and synonyms

1 names
  • tert-Butyl N-((pyrrolidin-3-yl)methyl)carbamate

Work with 3-Boc-aminomethylpyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-3-N-Boc-aminomethyl pyrrolidine173340-26-6Defined stereoisomer

Similar compounds

3-N-Boc-aminomethylpiperidine142643-29-685 % similar 4-(Boc-aminomethyl)piperidine135632-53-084 % similar tert-Butyl N-(azetidin-3-ylmethyl)carbamate91188-15-778 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-471 % similar tert-Butyl (4-oxocyclohexyl) methylcarbamate809273-70-965 % similar trans-4-(Boc-aminomethyl)-cyclohexanemethanamine166168-16-763 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-962 % similar 3-N-Boc-aminopyrrolidine99724-19-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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