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

C12H25NO — CID 163266549

IUPACethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC.CC(C)N1CCC2(CC1)COC2
InChIInChI=1S/C10H19NO.C2H6/c1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyVMKNVIIVTMCODA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds1

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

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 163266549) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID163266549
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC.CC(C)N1CCC2(CC1)COC2
InChIInChI=1S/C10H19NO.C2H6/c1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyVMKNVIIVTMCODA-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
CID 176693659
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
CID 170709269
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
CID 166858231
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695

Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane (CID 163266549) is ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane is CC.CC(C)N1CCC2(CC1)COC2.
What is the InChIKey of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is VMKNVIIVTMCODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 199.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 163266549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).