ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one

C18H36N2O — CID 155707184

IUPACethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O.C2H6/c1-4-15(19)18-11-7-16(8-12-18)5-9-17(10-6-16)13-14(2)3;1-2/h14H,4-13H2,1-3H3;1-2H3
InChIKeyZTGOLXZALQVAHL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.78
Rot. Bonds3

About ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one

ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one (PubChem CID 155707184) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
PubChem CID155707184
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Nameethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O.C2H6/c1-4-15(19)18-11-7-16(8-12-18)5-9-17(10-6-16)13-14(2)3;1-2/h14H,4-13H2,1-3H3;1-2H3
InChIKeyZTGOLXZALQVAHL-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
CID 170953549
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 163400374
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 170184671
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805

Frequently Asked Questions

What is the IUPAC name of ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one?
The IUPAC name of ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one (CID 155707184) is ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one.
What is the SMILES notation for ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one?
The canonical SMILES for ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one is CC.CCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1.
What is the InChIKey of ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one?
The InChIKey is ZTGOLXZALQVAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.C2H6/c1-4-15(19)18-11-7-16(8-12-18)5-9-17(10-6-16)13-14(2)3;1-2/h14H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one?
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one has a molecular weight of 296.50 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one is sourced from PubChem (CID 155707184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).