ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine

C31H55N3O6 — CID 168931224

IUPACethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
SMILESCC.CCC1(C)COC1.COC.COc1ccc2c(CCN(C)C)cn(CCN3CC4(COC4)C3)c2c1.O=CO
InChIInChI=1S/C20H29N3O2.C6H12O.C2H6O.C2H6.CH2O2/c1-21(2)7-6-16-11-23(19-10-17(24-3)4-5-18(16)19)9-8-22-12-20(13-22)14-25-15-20;1-3-6(2)4-7-5-6;1-3-2;1-2;2-1-3/h4-5,10-11H,6-9,12-15H2,1-3H3;3-5H2,1-2H3;1-2H3;1-2H3;1H,(H,2,3)
InChIKeyFFTIMTCJXTURGV-UHFFFAOYSA-N
MW565.80 g/mol
LogP4.51
Rot. Bonds8

About ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine

ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine (PubChem CID 168931224) has the molecular formula C31H55N3O6 and a molecular weight of 565.80 g/mol. Its IUPAC name is ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Nameethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
PubChem CID168931224
Molecular FormulaC31H55N3O6
Molecular Weight565.80 g/mol
Exact Mass565.41
IUPAC Nameethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
SMILESCC.CCC1(C)COC1.COC.COc1ccc2c(CCN(C)C)cn(CCN3CC4(COC4)C3)c2c1.O=CO
InChIInChI=1S/C20H29N3O2.C6H12O.C2H6O.C2H6.CH2O2/c1-21(2)7-6-16-11-23(19-10-17(24-3)4-5-18(16)19)9-8-22-12-20(13-22)14-25-15-20;1-3-6(2)4-7-5-6;1-3-2;1-2;2-1-3/h4-5,10-11H,6-9,12-15H2,1-3H3;3-5H2,1-2H3;1-2H3;1-2H3;1H,(H,2,3)
InChIKeyFFTIMTCJXTURGV-UHFFFAOYSA-N
XLogP4.51
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
CID 166467720
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate
CID 168931152
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
CID 166467583
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
CID 168930901
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
ditert-butyl [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl phosphate
CID 168931246
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone
CID 168930990

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine (CID 168931224) is ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine is CC.CCC1(C)COC1.COC.COc1ccc2c(CCN(C)C)cn(CCN3CC4(COC4)C3)c2c1.O=CO.
What is the InChIKey of ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is FFTIMTCJXTURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.C6H12O.C2H6O.C2H6.CH2O2/c1-21(2)7-6-16-11-23(19-10-17(24-3)4-5-18(16)19)9-8-22-12-20(13-22)14-25-15-20;1-3-6(2)4-7-5-6;1-3-2;1-2;2-1-3/h4-5,10-11H,6-9,12-15H2,1-3H3;3-5H2,1-2H3;1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 565.80 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-methyloxetane;formic acid;methoxymethane;2-[6-methoxy-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 168931224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).