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

C15H31NO — CID 170581774

IUPACethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC.CCOC1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H25NO.C2H6/c1-4-15-12-9-13(10-12)5-7-14(8-6-13)11(2)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyKNUBOEQKWDHLLW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds3

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

ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 170581774) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID170581774
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC.CCOC1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H25NO.C2H6/c1-4-15-12-9-13(10-12)5-7-14(8-6-13)11(2)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyKNUBOEQKWDHLLW-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-7-propan-2-ylspiro[3.5]nonane
CID 176983956
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)propan-1-amine
CID 165404477
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
CID 176563302

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 170581774) is ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane is CC.CCOC1CC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is KNUBOEQKWDHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C2H6/c1-4-15-12-9-13(10-12)5-7-14(8-6-13)11(2)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane?
ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 241.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).