7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane

C14H29NO — CID 176923724

IUPAC7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane
SMILESCCC.CCCCN1CCC2(CCCO2)C1
InChIInChI=1S/C11H21NO.C3H8/c1-2-3-7-12-8-6-11(10-12)5-4-9-13-11;1-3-2/h2-10H2,1H3;3H2,1-2H3
InChIKeyRXZJBBIJWZVPDU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.46
Rot. Bonds3

About 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane

7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane (PubChem CID 176923724) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane.

Molecular Properties

Compound Name7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane
PubChem CID176923724
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane
SMILESCCC.CCCCN1CCC2(CCCO2)C1
InChIInChI=1S/C11H21NO.C3H8/c1-2-3-7-12-8-6-11(10-12)5-4-9-13-11;1-3-2/h2-10H2,1H3;3H2,1-2H3
InChIKeyRXZJBBIJWZVPDU-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane?
The IUPAC name of 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane (CID 176923724) is 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane.
What is the SMILES notation for 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane?
The canonical SMILES for 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane is CCC.CCCCN1CCC2(CCCO2)C1.
What is the InChIKey of 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane?
The InChIKey is RXZJBBIJWZVPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C3H8/c1-2-3-7-12-8-6-11(10-12)5-4-9-13-11;1-3-2/h2-10H2,1H3;3H2,1-2H3.
What are the key properties of 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane?
7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane has a molecular weight of 227.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane is sourced from PubChem (CID 176923724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).