tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate

C12H24N2O2 — CID 53419825

IUPACtert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
SMILESCN(CCC1CCNC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)8-6-10-5-7-13-9-10/h10,13H,5-9H2,1-4H3
InChIKeyZOIYJRFJBWHNPE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate

tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate (PubChem CID 53419825) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
PubChem CID53419825
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
SMILESCN(CCC1CCNC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)8-6-10-5-7-13-9-10/h10,13H,5-9H2,1-4H3
InChIKeyZOIYJRFJBWHNPE-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
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N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
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tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
N-methyl-N-(2-pyrrolidin-3-ylethyl)hydroxylamine
CID 105428686
tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
CID 23395979
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
tert-butyl N-(2-cyanoethyl)-N-(pyrrolidin-3-ylmethyl)carbamate
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tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate (CID 53419825) is tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate is CN(CCC1CCNC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate?
The InChIKey is ZOIYJRFJBWHNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)8-6-10-5-7-13-9-10/h10,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate?
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 3 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-(2-pyrrolidin-3-ylethyl)carbamate is sourced from PubChem (CID 53419825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).