7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane

C11H21NO — CID 130621433

IUPAC7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
SMILESCCC(C)N1CCC2(CCOC2)C1
InChIInChI=1S/C11H21NO/c1-3-10(2)12-6-4-11(8-12)5-7-13-9-11/h10H,3-9H2,1-2H3
InChIKeyBKVXXHRFGSGPNX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane

7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 130621433) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID130621433
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
SMILESCCC(C)N1CCC2(CCOC2)C1
InChIInChI=1S/C11H21NO/c1-3-10(2)12-6-4-11(8-12)5-7-13-9-11/h10H,3-9H2,1-2H3
InChIKeyBKVXXHRFGSGPNX-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane (CID 130621433) is 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane is CCC(C)N1CCC2(CCOC2)C1.
What is the InChIKey of 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is BKVXXHRFGSGPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)12-6-4-11(8-12)5-7-13-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane?
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 130621433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).