tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate

C13H26N2O2 — CID 174176634

IUPACtert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
SMILESCCC1CCC(CN(C)C(=O)OC(C)(C)C)N1
InChIInChI=1S/C13H26N2O2/c1-6-10-7-8-11(14-10)9-15(5)12(16)17-13(2,3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyBRDLEGRAUSPDJH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate

tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate (PubChem CID 174176634) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
PubChem CID174176634
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
SMILESCCC1CCC(CN(C)C(=O)OC(C)(C)C)N1
InChIInChI=1S/C13H26N2O2/c1-6-10-7-8-11(14-10)9-15(5)12(16)17-13(2,3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyBRDLEGRAUSPDJH-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate
CID 146602499
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
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-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517782
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
CID 165465296
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate (CID 174176634) is tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate is CCC1CCC(CN(C)C(=O)OC(C)(C)C)N1.
What is the InChIKey of tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate?
The InChIKey is BRDLEGRAUSPDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-10-7-8-11(14-10)9-15(5)12(16)17-13(2,3)4/h10-11,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 174176634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).