tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate

C13H24N2O3 — CID 146349608

IUPACtert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate
SMILESCC1CCOC12CNCC2NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9-5-6-17-13(9)8-14-7-10(13)15-11(16)18-12(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyRTKQBHHMTNRUPC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds1

About tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate

tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate (PubChem CID 146349608) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate
PubChem CID146349608
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate
SMILESCC1CCOC12CNCC2NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-9-5-6-17-13(9)8-14-7-10(13)15-11(16)18-12(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyRTKQBHHMTNRUPC-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate (CID 146349608) is tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate is CC1CCOC12CNCC2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate?
The InChIKey is RTKQBHHMTNRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-5-6-17-13(9)8-14-7-10(13)15-11(16)18-12(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate?
tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate is sourced from PubChem (CID 146349608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).