ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one

C20H40N2O — CID 169158348

IUPACethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
SMILESCC.CCN1CCC2(CC1)CCN(CCCC(=O)C(C)C)CC2
InChIInChI=1S/C18H34N2O.C2H6/c1-4-19-12-7-18(8-13-19)9-14-20(15-10-18)11-5-6-17(21)16(2)3;1-2/h16H,4-15H2,1-3H3;1-2H3
InChIKeyAOUXGFNWPHIVKW-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.22
Rot. Bonds6

About ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one

ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one (PubChem CID 169158348) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one.

Molecular Properties

Compound Nameethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
PubChem CID169158348
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Nameethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
SMILESCC.CCN1CCC2(CC1)CCN(CCCC(=O)C(C)C)CC2
InChIInChI=1S/C18H34N2O.C2H6/c1-4-19-12-7-18(8-13-19)9-14-20(15-10-18)11-5-6-17(21)16(2)3;1-2/h16H,4-15H2,1-3H3;1-2H3
InChIKeyAOUXGFNWPHIVKW-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one
CID 165459746
6-imidazolidin-1-yl-2-methylhexan-3-one
CID 58309908
1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 163400374
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992

Frequently Asked Questions

What is the IUPAC name of ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one?
The IUPAC name of ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one (CID 169158348) is ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one.
What is the SMILES notation for ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one?
The canonical SMILES for ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one is CC.CCN1CCC2(CC1)CCN(CCCC(=O)C(C)C)CC2.
What is the InChIKey of ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one?
The InChIKey is AOUXGFNWPHIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.C2H6/c1-4-19-12-7-18(8-13-19)9-14-20(15-10-18)11-5-6-17(21)16(2)3;1-2/h16H,4-15H2,1-3H3;1-2H3.
What are the key properties of ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one?
ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one has a molecular weight of 324.55 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one is sourced from PubChem (CID 169158348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).