6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane

C21H42N2O — CID 178063045

IUPAC6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane
SMILESC.C=C(CCC(CC)C(C)=O)N1CCCC2(CCNCC2)C1.CC
InChIInChI=1S/C18H32N2O.C2H6.CH4/c1-4-17(16(3)21)7-6-15(2)20-13-5-8-18(14-20)9-11-19-12-10-18;1-2;/h17,19H,2,4-14H2,1,3H3;1-2H3;1H4
InChIKeyFKKHBKRSSKUVCY-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.02
Rot. Bonds6

About 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane

6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane (PubChem CID 178063045) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane.

Molecular Properties

Compound Name6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane
PubChem CID178063045
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane
SMILESC.C=C(CCC(CC)C(C)=O)N1CCCC2(CCNCC2)C1.CC
InChIInChI=1S/C18H32N2O.C2H6.CH4/c1-4-17(16(3)21)7-6-15(2)20-13-5-8-18(14-20)9-11-19-12-10-18;1-2;/h17,19H,2,4-14H2,1,3H3;1-2H3;1H4
InChIKeyFKKHBKRSSKUVCY-UHFFFAOYSA-N
XLogP5.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane with MolForge

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Related Compounds

4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
CID 166169448
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
CID 165439142
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
1-(2-azaspiro[5.5]undecan-2-yl)ethanone
CID 18685206
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
CID 154907984
1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one
CID 165465666
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
CID 178115937
(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one
CID 102849643
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774

Frequently Asked Questions

What is the IUPAC name of 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane?
The IUPAC name of 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane (CID 178063045) is 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane.
What is the SMILES notation for 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane?
The canonical SMILES for 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane is C.C=C(CCC(CC)C(C)=O)N1CCCC2(CCNCC2)C1.CC.
What is the InChIKey of 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane?
The InChIKey is FKKHBKRSSKUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.C2H6.CH4/c1-4-17(16(3)21)7-6-15(2)20-13-5-8-18(14-20)9-11-19-12-10-18;1-2;/h17,19H,2,4-14H2,1,3H3;1-2H3;1H4.
What are the key properties of 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane?
6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane has a molecular weight of 338.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane is sourced from PubChem (CID 178063045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).