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tert-Butyl ((1-(2-aminoethyl)pyrrolidin-3-yl)methyl)carbamate

HCID 53652257
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCC1CCN(CCN)C1
InChIKey
ANLXAXZNFOXVLV-UHFFFAOYSA-N
Molecular formula
C12H25N3O2
Average molar mass
243.35 g/mol

Names & identifiers

Preferred name
tert-Butyl ((1-(2-aminoethyl)pyrrolidin-3-yl)methyl)carbamate
IUPAC
tert-butyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]carbamate

Names & synonyms

173340-52-8tert-Butyl ((1-(2-aminoethyl)pyrrolidin-3-yl)methyl)carbamate[1-(2-Amino-ethyl)-pyrrolidin-3-ylmethyl]-carbamic acid tert-butyl estertert-Butyl((1-(2-aminoethyl)pyrrolidin-3-yl)methyl)carbamatetert-butyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]carbamateSCHEMBL7389703ANLXAXZNFOXVLV-UHFFFAOYSA-N2-(3-tert-Butoxycarbonylaminomethylpyrrolidin-1-yl)ethylamineDB-249065

Database identifiers

PubChem CID
53652257

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
67.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
251

Related reactions

10 records
New reaction record
HRID 93444 reaction equation
HRID 93444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 344296 reaction equation
HRID 344296As reactantuspto-grants-1999_01
HRID 344299 reaction equation
HRID 344299As reactantuspto-grants-1999_01
HRID 344304 reaction equation
HRID 344304As reactantuspto-grants-1999_01
HRID 344318 reaction equation
HRID 344318As reactantuspto-grants-1999_01
HRID 344324 reaction equation
HRID 344324As reactantuspto-grants-1999_01
HRID 344335 reaction equation
HRID 344335As reactantuspto-grants-1999_01
HRID 344344 reaction equation
HRID 344344As reactantuspto-grants-1999_01
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Compound notes

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