ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane

C13H27NO — CID 170728342

IUPACethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane
SMILESCC.CC(C)C1CC2(CCN(C)CC2)O1
InChIInChI=1S/C11H21NO.C2H6/c1-9(2)10-8-11(13-10)4-6-12(3)7-5-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyMYDJLVNWXCBXHW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds1

About ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane

ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 170728342) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane
PubChem CID170728342
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane
SMILESCC.CC(C)C1CC2(CCN(C)CC2)O1
InChIInChI=1S/C11H21NO.C2H6/c1-9(2)10-8-11(13-10)4-6-12(3)7-5-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyMYDJLVNWXCBXHW-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
CID 67903560
2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid
CID 142916225
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 172607002
1-methyl-4,4-di(propan-2-yl)piperidine
CID 18740750
N-[(E)-2-fluoroprop-1-enyl]-3-methyl-11-(2-methylpropyl)-7-oxa-3-azaspiro[5.6]dodecan-8-amine
CID 130371331
2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-6-methylpyran-4-one
CID 154564835
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
CID 10242847
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
CID 173100464

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane (CID 170728342) is ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane is CC.CC(C)C1CC2(CCN(C)CC2)O1.
What is the InChIKey of ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is MYDJLVNWXCBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-9(2)10-8-11(13-10)4-6-12(3)7-5-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane?
ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 213.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170728342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).