1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one

C15H28N2O — CID 156795061

IUPAC1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
SMILESCCN1CCC2(CC1)CCN(C(=O)C(C)C)CC2
InChIInChI=1S/C15H28N2O/c1-4-16-9-5-15(6-10-16)7-11-17(12-8-15)14(18)13(2)3/h13H,4-12H2,1-3H3
InChIKeyJOSTWLRHJIGADW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.37
Rot. Bonds2

About 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one

1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one (PubChem CID 156795061) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
PubChem CID156795061
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
SMILESCCN1CCC2(CC1)CCN(C(=O)C(C)C)CC2
InChIInChI=1S/C15H28N2O/c1-4-16-9-5-15(6-10-16)7-11-17(12-8-15)14(18)13(2)3/h13H,4-12H2,1-3H3
InChIKeyJOSTWLRHJIGADW-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
CID 169158348
2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
CID 155750803
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
2-methyl-1-[2-(propan-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 164567308
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 155455481

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one (CID 156795061) is 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one is CCN1CCC2(CC1)CCN(C(=O)C(C)C)CC2.
What is the InChIKey of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one?
The InChIKey is JOSTWLRHJIGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-16-9-5-15(6-10-16)7-11-17(12-8-15)14(18)13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one?
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 156795061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).