tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate

C14H28N2O2 — CID 84805368

IUPACtert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)CC1NCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)8-12-11(6-7-15-12)9-16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyQQLHDHQLFVUQSG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 84805368) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID84805368
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)CC1NCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)8-12-11(6-7-15-12)9-16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyQQLHDHQLFVUQSG-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate
CID 84815710
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 84815325
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251471
tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
CID 97184307
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
CID 84804757

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate (CID 84805368) is tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate is CC(C)CC1NCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is QQLHDHQLFVUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)8-12-11(6-7-15-12)9-16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 84805368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).