6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane

C31H55N3O3 — CID 166949714

IUPAC6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESCC(N1CCC2(CCOC2)C(C2CN(C(C)(C)C)CC23CCOC3)C1)C(C)(C)N1CCC2(CC1)COC2
InChIInChI=1S/C31H55N3O3/c1-24(28(5,6)33-13-7-29(8-14-33)20-37-21-29)32-12-9-30(10-15-35-22-30)25(17-32)26-18-34(27(2,3)4)19-31(26)11-16-36-23-31/h24-26H,7-23H2,1-6H3
InChIKeyXMZUPHVSVFIKNB-UHFFFAOYSA-N
MW517.80 g/mol
LogP4.13
Rot. Bonds4

About 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane

6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 166949714) has the molecular formula C31H55N3O3 and a molecular weight of 517.80 g/mol. Its IUPAC name is 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID166949714
Molecular FormulaC31H55N3O3
Molecular Weight517.80 g/mol
Exact Mass517.42
IUPAC Name6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESCC(N1CCC2(CCOC2)C(C2CN(C(C)(C)C)CC23CCOC3)C1)C(C)(C)N1CCC2(CC1)COC2
InChIInChI=1S/C31H55N3O3/c1-24(28(5,6)33-13-7-29(8-14-33)20-37-21-29)32-12-9-30(10-15-35-22-30)25(17-32)26-18-34(27(2,3)4)19-31(26)11-16-36-23-31/h24-26H,7-23H2,1-6H3
InChIKeyXMZUPHVSVFIKNB-UHFFFAOYSA-N
XLogP4.13
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane
CID 166849919
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 163514745
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane
CID 163601733
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
CID 166786710
(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol
CID 176847731
6-[4-(4-tert-butylpiperazin-1-yl)butan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 139492037
2-tert-butyl-2-azaspiro[4.5]decane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazepane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 160729271
7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane
CID 170012192

Frequently Asked Questions

What is the IUPAC name of 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane (CID 166949714) is 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane is CC(N1CCC2(CCOC2)C(C2CN(C(C)(C)C)CC23CCOC3)C1)C(C)(C)N1CCC2(CC1)COC2.
What is the InChIKey of 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is XMZUPHVSVFIKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55N3O3/c1-24(28(5,6)33-13-7-29(8-14-33)20-37-21-29)32-12-9-30(10-15-35-22-30)25(17-32)26-18-34(27(2,3)4)19-31(26)11-16-36-23-31/h24-26H,7-23H2,1-6H3.
What are the key properties of 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane?
6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 517.80 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-tert-butyl-2-oxa-7-azaspiro[4.4]nonan-9-yl)-8-[3-methyl-3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 166949714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).