ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane

C12H27NO — CID 144770357

IUPACethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
SMILESCC.CC.CN1CCC2(CCOC2)C1
InChIInChI=1S/C8H15NO.2C2H6/c1-9-4-2-8(6-9)3-5-10-7-8;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyXLDGLPNLHNDNJB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds

About ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane

ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 144770357) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID144770357
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
SMILESCC.CC.CN1CCC2(CCOC2)C1
InChIInChI=1S/C8H15NO.2C2H6/c1-9-4-2-8(6-9)3-5-10-7-8;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyXLDGLPNLHNDNJB-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-2-oxa-7-azaspiro[4.4]nonane
CID 170081751
3-(2-Oxa-7-azaspiro[4.4]nonan-7-yl)propyl hypofluorite
CID 170107930
7-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 178037764
7-(3,3-Difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane
CID 126795363
(5R)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane
CID 129348578
(5S)-7-(3,3-difluorobutyl)-2-oxa-7-azaspiro[4.4]nonane
CID 129348579
2-(2-Oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile
CID 71854535
8-Methyl-2-oxa-8-azaspiro[4.5]decane
CID 23395570
7-Tert-butyl-2-oxa-7-azaspiro[4.4]nonane
CID 58441265
3-(2-Methoxyethyl)-1-methylpyrrolidine
CID 58641018
N,N-dimethyl-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine
CID 58797576
2-Isopropyl-8-oxa-2-azaspiro[4.5]decane
CID 59764735

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane (CID 144770357) is ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane is CC.CC.CN1CCC2(CCOC2)C1.
What is the InChIKey of ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is XLDGLPNLHNDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C2H6/c1-9-4-2-8(6-9)3-5-10-7-8;2*1-2/h2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane?
ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 201.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 144770357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).