tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate

C13H27N3O2 — CID 116861096

IUPACtert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate
SMILESCNCC(NC(=O)OC(C)(C)C)C1CCN(C)C1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11(8-14-4)10-6-7-16(5)9-10/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyCAZZUOZSXOBYML-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.05
Rot. Bonds4

About tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate

tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate (PubChem CID 116861096) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate
PubChem CID116861096
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate
SMILESCNCC(NC(=O)OC(C)(C)C)C1CCN(C)C1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11(8-14-4)10-6-7-16(5)9-10/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyCAZZUOZSXOBYML-UHFFFAOYSA-N
XLogP1.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate (CID 116861096) is tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate is CNCC(NC(=O)OC(C)(C)C)C1CCN(C)C1.
What is the InChIKey of tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate?
The InChIKey is CAZZUOZSXOBYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11(8-14-4)10-6-7-16(5)9-10/h10-11,14H,6-9H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 116861096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).