tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate

C13H26N2O2 — CID 68883286

IUPACtert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCCC1CCCN1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-11-7-6-9-15(11)10-8-14-12(16)17-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyLJSOZGLKZBEKEX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate

tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate (PubChem CID 68883286) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
PubChem CID68883286
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCCC1CCCN1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-11-7-6-9-15(11)10-8-14-12(16)17-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyLJSOZGLKZBEKEX-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67953868
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tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
CID 83982209
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
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tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
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tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
tert-butyl N-[2-[2-(5-iodopyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 118429390
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
CID 166035351
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[3-[[N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887489
tert-butyl N-[3-[[(2R)-1-[3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropyl]piperidin-2-yl]methylamino]-3-oxopropyl]carbamate
CID 99786774
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate (CID 68883286) is tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate is CCC1CCCN1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is LJSOZGLKZBEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-11-7-6-9-15(11)10-8-14-12(16)17-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 68883286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).