7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane

C11H21NO2 — CID 130436603

IUPAC7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCCN1CC2(CC1C(C)C)OCCO2
InChIInChI=1S/C11H21NO2/c1-4-12-8-11(13-5-6-14-11)7-10(12)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyFDFOETHBNPOEFO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds2

About 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane

7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 130436603) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID130436603
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCCN1CC2(CC1C(C)C)OCCO2
InChIInChI=1S/C11H21NO2/c1-4-12-8-11(13-5-6-14-11)7-10(12)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyFDFOETHBNPOEFO-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 130436603) is 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane is CCN1CC2(CC1C(C)C)OCCO2.
What is the InChIKey of 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is FDFOETHBNPOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12-8-11(13-5-6-14-11)7-10(12)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane?
7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 199.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-propan-2-yl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 130436603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).