2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene

C19H35NO — CID 176830058

IUPAC2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCCC1OC2(CCN(C(C)C)CC2)C(C(C)C)=C1C(C)C
InChIInChI=1S/C19H35NO/c1-8-16-17(13(2)3)18(14(4)5)19(21-16)9-11-20(12-10-19)15(6)7/h13-16H,8-12H2,1-7H3
InChIKeyIBHQKACLXAGWNX-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.65
Rot. Bonds4

About 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene

2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 176830058) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID176830058
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCCC1OC2(CCN(C(C)C)CC2)C(C(C)C)=C1C(C)C
InChIInChI=1S/C19H35NO/c1-8-16-17(13(2)3)18(14(4)5)19(21-16)9-11-20(12-10-19)15(6)7/h13-16H,8-12H2,1-7H3
InChIKeyIBHQKACLXAGWNX-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176830116
2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829910
(5S,6S)-6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 176829539
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146477418
N-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 177228251
8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
CID 162769943
2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
CID 176829653
ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 177162235
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 176830058) is 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene is CCC1OC2(CCN(C(C)C)CC2)C(C(C)C)=C1C(C)C.
What is the InChIKey of 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is IBHQKACLXAGWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-8-16-17(13(2)3)18(14(4)5)19(21-16)9-11-20(12-10-19)15(6)7/h13-16H,8-12H2,1-7H3.
What are the key properties of 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 293.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176830058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).