1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one

C16H30N2O — CID 176578535

IUPAC1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
SMILESCCN1CCCC2(CCCN(CC(=O)C(C)C)C2)C1
InChIInChI=1S/C16H30N2O/c1-4-17-9-5-7-16(12-17)8-6-10-18(13-16)11-15(19)14(2)3/h14H,4-13H2,1-3H3
InChIKeyGLSXQZUGAOOSSN-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds4

About 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one

1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one (PubChem CID 176578535) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
PubChem CID176578535
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
SMILESCCN1CCCC2(CCCN(CC(=O)C(C)C)C2)C1
InChIInChI=1S/C16H30N2O/c1-4-17-9-5-7-16(12-17)8-6-10-18(13-16)11-15(19)14(2)3/h14H,4-13H2,1-3H3
InChIKeyGLSXQZUGAOOSSN-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
CID 118001208
3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-2-one
CID 130663038
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850222
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
CID 153390108
CID 153390108
1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine
CID 126603719
8-ethyl-2-oxa-8-azaspiro[5.5]undecane
CID 153357345

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one?
The IUPAC name of 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one (CID 176578535) is 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one?
The canonical SMILES for 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one is CCN1CCCC2(CCCN(CC(=O)C(C)C)C2)C1.
What is the InChIKey of 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one?
The InChIKey is GLSXQZUGAOOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-17-9-5-7-16(12-17)8-6-10-18(13-16)11-15(19)14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one?
1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one is sourced from PubChem (CID 176578535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).