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

C13H26N2O2 — CID 84801698

IUPACtert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
SMILESCCCC1CNCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-10-7-14-8-11(10)9-15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyQEMRZBBSIUCKJX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.15
Rot. Bonds4

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

tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 84801698) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
PubChem CID84801698
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
SMILESCCCC1CNCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-10-7-14-8-11(10)9-15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyQEMRZBBSIUCKJX-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
CID 130800949
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
tert-butyl N-[2-[(2-propylcyclopropyl)amino]ethyl]carbamate
CID 103711573
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
CID 99991642
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate (CID 84801698) is tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate is CCCC1CNCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is QEMRZBBSIUCKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-6-10-7-14-8-11(10)9-15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 84801698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).