ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

C15H29NO — CID 177162575

IUPACethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC.CCC1=C(C)C2(CCN(C)CC2)OC1C
InChIInChI=1S/C13H23NO.C2H6/c1-5-12-10(2)13(15-11(12)3)6-8-14(4)9-7-13;1-2/h11H,5-9H2,1-4H3;1-2H3
InChIKeyZBUKGEMZKMFYLW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.62
Rot. Bonds1

About ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 177162575) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Nameethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID177162575
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC.CCC1=C(C)C2(CCN(C)CC2)OC1C
InChIInChI=1S/C13H23NO.C2H6/c1-5-12-10(2)13(15-11(12)3)6-8-14(4)9-7-13;1-2/h11H,5-9H2,1-4H3;1-2H3
InChIKeyZBUKGEMZKMFYLW-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene 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

(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161814
(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
CID 176830232
3-ethyl-2,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177162327
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
sodium;4,4-di(ethyl)-1-methylpiperidine;ethane
CID 177136872
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
CID 173100464
4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
CID 10242847
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylimidazolidin-4-one
CID 107165646
N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
CID 10013905
ethane;7-methyl-2-propan-2-yl-1-oxa-7-azaspiro[3.5]nonane
CID 170728342

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 177162575) is ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is CC.CCC1=C(C)C2(CCN(C)CC2)OC1C.
What is the InChIKey of ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is ZBUKGEMZKMFYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-5-12-10(2)13(15-11(12)3)6-8-14(4)9-7-13;1-2/h11H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 239.40 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177162575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).