ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane

C13H27NO — CID 178173087

IUPACethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESCC.CC(C)N1CCCC2(CCCO2)C1
InChIInChI=1S/C11H21NO.C2H6/c1-10(2)12-7-3-5-11(9-12)6-4-8-13-11;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyFZBJABDDKHOUJM-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds1

About ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane

ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 178173087) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane
PubChem CID178173087
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESCC.CC(C)N1CCCC2(CCCO2)C1
InChIInChI=1S/C11H21NO.C2H6/c1-10(2)12-7-3-5-11(9-12)6-4-8-13-11;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyFZBJABDDKHOUJM-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane (CID 178173087) is ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane is CC.CC(C)N1CCCC2(CCCO2)C1.
What is the InChIKey of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is FZBJABDDKHOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-10(2)12-7-3-5-11(9-12)6-4-8-13-11;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane?
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 213.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 178173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).