1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane

C11H21NO — CID 130211344

IUPAC1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)(C)N1CCCC12CCOC2
InChIInChI=1S/C11H21NO/c1-10(2,3)12-7-4-5-11(12)6-8-13-9-11/h4-9H2,1-3H3
InChIKeyHDQMYCKLWUXFFX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds

About 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane

1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 130211344) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
PubChem CID130211344
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)(C)N1CCCC12CCOC2
InChIInChI=1S/C11H21NO/c1-10(2,3)12-7-4-5-11(12)6-8-13-9-11/h4-9H2,1-3H3
InChIKeyHDQMYCKLWUXFFX-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
CID 162462248
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 130627672
ethane;6-ethyl-2-oxa-6-azaspiro[4.5]decane
CID 153356983
1-tert-butyl-2,2-dimethylpyrrolidine
CID 58450080
5-methyl-8-oxa-5-azaspiro[3.5]nonane
CID 130359992
3-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)but-2-en-1-one
CID 130689992
2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal
CID 130727536
3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 130674066

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane (CID 130211344) is 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane is CC(C)(C)N1CCCC12CCOC2.
What is the InChIKey of 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is HDQMYCKLWUXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)12-7-4-5-11(12)6-8-13-9-11/h4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane?
1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 130211344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).