ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane

C14H29NO — CID 158051450

IUPACethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
SMILESCC.CC(C)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-11(2)13-8-3-5-12(7-9-13)6-4-10-14-12;1-2/h11H,3-10H2,1-2H3;1-2H3
InChIKeyFJNNMTPHZZEHQK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.46
Rot. Bonds1

About ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane

ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane (PubChem CID 158051450) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane.

Molecular Properties

Compound Nameethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
PubChem CID158051450
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
SMILESCC.CC(C)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-11(2)13-8-3-5-12(7-9-13)6-4-10-14-12;1-2/h11H,3-10H2,1-2H3;1-2H3
InChIKeyFJNNMTPHZZEHQK-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane?
The IUPAC name of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane (CID 158051450) is ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane.
What is the SMILES notation for ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane?
The canonical SMILES for ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane is CC.CC(C)N1CCCC2(CCCO2)CC1.
What is the InChIKey of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane?
The InChIKey is FJNNMTPHZZEHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-11(2)13-8-3-5-12(7-9-13)6-4-10-14-12;1-2/h11H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane?
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane has a molecular weight of 227.39 g/mol, XLogP of 3.46, 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[4.6]undecane is sourced from PubChem (CID 158051450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).