tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate

C12H24N2O2 — CID 146602499

IUPACtert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate
SMILESCC1CCC(CN(C)C(=O)OC(C)(C)C)N1
InChIInChI=1S/C12H24N2O2/c1-9-6-7-10(13-9)8-14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyHPQLLYVTJTUSJN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate

tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate (PubChem CID 146602499) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate
PubChem CID146602499
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate
SMILESCC1CCC(CN(C)C(=O)OC(C)(C)C)N1
InChIInChI=1S/C12H24N2O2/c1-9-6-7-10(13-9)8-14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyHPQLLYVTJTUSJN-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
CID 174176634
tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 103098260
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517782
tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate (CID 146602499) is tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate is CC1CCC(CN(C)C(=O)OC(C)(C)C)N1.
What is the InChIKey of tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate?
The InChIKey is HPQLLYVTJTUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-7-10(13-9)8-14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 146602499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).