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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Related Compounds

7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 90054026
7,8-diethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 89255157
(8S)-7,8-di(propan-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane;(6S)-6,7-di(propan-2-yl)-1-oxa-7-azaspiro[3.4]octane
CID 160519941
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
(2-propan-2-ylaziridin-1-yl)methanamine
CID 163565729
(8S)-7-[(2S)-3-carboxy-2-methylpropanoyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 22818935
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
methyl (8S)-7-[[(2R)-2-(methoxycarbonylamino)-3-methylbutoxy]methyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 144506669
1,5-diethyl-2-propan-2-ylpiperidine
CID 59860323
(8S)-7-(2-methyl-3-sulfanylpropanoyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 12821192
tert-butyl (2R,4S)-1-ethyl-4-methyl-2-propan-2-ylpiperidine-4-carboxylate
CID 177325176
(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 170295947

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).