2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane

C8H15NO2 — CID 170728203

IUPAC2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane
SMILESCC1COC2(CO1)CN(C)C2
InChIInChI=1S/C8H15NO2/c1-7-3-11-8(6-10-7)4-9(2)5-8/h7H,3-6H2,1-2H3
InChIKeyXNIFBXDMCFPXIJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.11
Rot. Bonds

About 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane

2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 170728203) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID170728203
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane
SMILESCC1COC2(CO1)CN(C)C2
InChIInChI=1S/C8H15NO2/c1-7-3-11-8(6-10-7)4-9(2)5-8/h7H,3-6H2,1-2H3
InChIKeyXNIFBXDMCFPXIJ-UHFFFAOYSA-N
XLogP0.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 176639327
2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 155238981
2,2-diethyl-5-methyl-1,4-dioxane
CID 151533487
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
CID 167503016
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
CID 164532769
(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 170384202
2,4,5,5-tetramethylmorpholine
CID 130737621
CID 163498360
CID 163498360

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane (CID 170728203) is 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane is CC1COC2(CO1)CN(C)C2.
What is the InChIKey of 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is XNIFBXDMCFPXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-3-11-8(6-10-7)4-9(2)5-8/h7H,3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane?
2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 157.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170728203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).