2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine

C22H33N3O2 — CID 166467720

IUPAC2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2CCN1CCCCC12COC2
InChIInChI=1S/C22H33N3O2/c1-23(2)11-8-18-15-24(21-7-6-19(26-3)14-20(18)21)12-13-25-10-5-4-9-22(25)16-27-17-22/h6-7,14-15H,4-5,8-13,16-17H2,1-3H3
InChIKeyIQYAATYUMJNVJZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.01
Rot. Bonds7

About 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine

2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine (PubChem CID 166467720) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
PubChem CID166467720
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2CCN1CCCCC12COC2
InChIInChI=1S/C22H33N3O2/c1-23(2)11-8-18-15-24(21-7-6-19(26-3)14-20(18)21)12-13-25-10-5-4-9-22(25)16-27-17-22/h6-7,14-15H,4-5,8-13,16-17H2,1-3H3
InChIKeyIQYAATYUMJNVJZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467537
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
N-[2-(azetidin-1-yl)ethyl]-3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxamide
CID 166467250
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane
CID 166467671
(E)-1,3-difluorobut-1-ene;ethane;2-[5-methoxy-1-[(E)-2-methylbut-2-enyl]indol-3-yl]-N,N-dimethylethanamine
CID 142937861
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 134382314
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
2-morpholin-4-ylethyl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
CID 166467149

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine (CID 166467720) is 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)cn2CCN1CCCCC12COC2.
What is the InChIKey of 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is IQYAATYUMJNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-23(2)11-8-18-15-24(21-7-6-19(26-3)14-20(18)21)12-13-25-10-5-4-9-22(25)16-27-17-22/h6-7,14-15H,4-5,8-13,16-17H2,1-3H3.
What are the key properties of 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine?
2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 371.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166467720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).