tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate

C14H26N2O3 — CID 102564313

IUPACtert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2(CCNCC2)CO1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-11-8-14(10-18-11)4-6-15-7-5-14/h11,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyUDRFMMANEMUIEH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate

tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate (PubChem CID 102564313) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate
PubChem CID102564313
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2(CCNCC2)CO1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-11-8-14(10-18-11)4-6-15-7-5-14/h11,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyUDRFMMANEMUIEH-UHFFFAOYSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.67
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-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate (CID 102564313) is tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CC2(CCNCC2)CO1.
What is the InChIKey of tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate?
The InChIKey is UDRFMMANEMUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-11-8-14(10-18-11)4-6-15-7-5-14/h11,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate?
tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)carbamate is sourced from PubChem (CID 102564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).