tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate

C18H34N2O3 — CID 84589299

IUPACtert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCOCC1
InChIInChI=1S/C18H34N2O3/c1-13(14-8-10-22-11-9-14)20-16-7-5-6-15(16)12-19-17(21)23-18(2,3)4/h13-16,20H,5-12H2,1-4H3,(H,19,21)
InChIKeyBMBOARDOHDAIOH-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.08
Rot. Bonds5

About tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 84589299) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID84589299
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCOCC1
InChIInChI=1S/C18H34N2O3/c1-13(14-8-10-22-11-9-14)20-16-7-5-6-15(16)12-19-17(21)23-18(2,3)4/h13-16,20H,5-12H2,1-4H3,(H,19,21)
InChIKeyBMBOARDOHDAIOH-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.08
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-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate (CID 84589299) is tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate is CC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCOCC1.
What is the InChIKey of tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is BMBOARDOHDAIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-13(14-8-10-22-11-9-14)20-16-7-5-6-15(16)12-19-17(21)23-18(2,3)4/h13-16,20H,5-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 84589299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).