tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate

C11H22N2O2 — CID 22924397

IUPACtert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate
SMILESCC1CNCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-8-5-12-6-9(8)7-13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCEFJWUXTHLISAP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate

tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 22924397) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate
PubChem CID22924397
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate
SMILESCC1CNCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-8-5-12-6-9(8)7-13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCEFJWUXTHLISAP-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
tert-butyl N-((pyrrolidin-3-yl)methyl)carbamate
CID 4250767
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397
tert-butyl N-(pyrrolidin-3-yl)carbamate
CID 2757234
Cis-2-boc-hexahydropyrrolo[3,4-C]pyrrole
CID 1514452
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate
CID 4142526
N-(tert-Butoxycarbonyl)-2-methyl-1,3-diaminopropane
CID 44629801
tert-butyl N-((5-oxopyrrolidin-3-yl)methyl)carbamate
CID 68769671
rac-tert-butyl N-[(3R,4S)-4-methylpyrrolidin-3-yl]carbamate
CID 53686699
tert-Butyl (3S)-3-(aminomethyl)pyrrolidine-1-carboxylate
CID 1514454
tert-Butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate
CID 1515152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate (CID 22924397) is tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate is CC1CNCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is CEFJWUXTHLISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-12-6-9(8)7-13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 22924397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).