tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate

C14H26N2O3 — CID 125454461

IUPACtert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1COC2(CCNCC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16(4)11-9-14(18-10-11)5-7-15-8-6-14/h11,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeySIFKADBLWKBYBN-LLVKDONJSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate (PubChem CID 125454461) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
PubChem CID125454461
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1COC2(CCNCC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16(4)11-9-14(18-10-11)5-7-15-8-6-14/h11,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeySIFKADBLWKBYBN-LLVKDONJSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 131606550
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tert-butyl 4-(1-oxa-8-azaspiro[4.5]decan-3-yl)piperazine-1-carboxylate
CID 171767821
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tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
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tert-butyl N-(dioxan-4-yl)-N-methylcarbamate
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tert-butyl N-(3,3-difluorocyclohexyl)-N-methylcarbamate
CID 154432366
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
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tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
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N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
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3-tert-butyl-1-oxa-8-azaspiro[4.5]decane
CID 171431706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate (CID 125454461) is tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@H]1COC2(CCNCC2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate?
The InChIKey is SIFKADBLWKBYBN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16(4)11-9-14(18-10-11)5-7-15-8-6-14/h11,15H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate is sourced from PubChem (CID 125454461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).