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

C18H34N2O — CID 155579599

IUPAC1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-5-6-17(21)20-13-9-18(10-14-20)7-11-19(12-8-18)15-16(2)3/h16H,4-15H2,1-3H3
InChIKeyIENPTXMAOVZIFB-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.54
Rot. Bonds5

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

1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one (PubChem CID 155579599) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
PubChem CID155579599
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-5-6-17(21)20-13-9-18(10-14-20)7-11-19(12-8-18)15-16(2)3/h16H,4-15H2,1-3H3
InChIKeyIENPTXMAOVZIFB-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
CID 170953549
9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 163400374
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one?
The IUPAC name of 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one (CID 155579599) is 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one.
What is the SMILES notation for 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one?
The canonical SMILES for 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one is CCCCC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one?
The InChIKey is IENPTXMAOVZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-5-6-17(21)20-13-9-18(10-14-20)7-11-19(12-8-18)15-16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one?
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one is sourced from PubChem (CID 155579599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).