tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate

C12H22N2O4 — CID 170917977

IUPACtert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC2(COC2)CO1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(15)13-4-9-5-14-12(8-17-9)6-16-7-12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyQGVKGLIVINJCFG-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.27
Rot. Bonds2

About tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate

tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate (PubChem CID 170917977) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate
PubChem CID170917977
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC2(COC2)CO1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(15)13-4-9-5-14-12(8-17-9)6-16-7-12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyQGVKGLIVINJCFG-UHFFFAOYSA-N
XLogP0.27
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42556133
tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
CID 130681607
tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
CID 99933957
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 167111332
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-[[(2S,4S)-4-propanoyloxolan-2-yl]methyl]carbamate
CID 165468135
lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate
CID 155858694
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate (CID 170917977) is tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CNC2(COC2)CO1.
What is the InChIKey of tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate?
The InChIKey is QGVKGLIVINJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)18-10(15)13-4-9-5-14-12(8-17-9)6-16-7-12/h9,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate?
tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate has a molecular weight of 258.32 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate is sourced from PubChem (CID 170917977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).