8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C18H24N2O2 — CID 15071480

IUPAC8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1[nH]c2ccccc2c1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C18H24N2O2/c1-14-15(16-4-2-3-5-17(16)19-14)6-9-20-10-7-18(8-11-20)21-12-13-22-18/h2-5,19H,6-13H2,1H3
InChIKeyGKHJDIMQOWKKGS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.86
Rot. Bonds3

About 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 15071480) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID15071480
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1[nH]c2ccccc2c1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C18H24N2O2/c1-14-15(16-4-2-3-5-17(16)19-14)6-9-20-10-7-18(8-11-20)21-12-13-22-18/h2-5,19H,6-13H2,1H3
InChIKeyGKHJDIMQOWKKGS-UHFFFAOYSA-N
XLogP2.86
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71868369
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
(4S)-4-hydroxy-4-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 674442
8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 11198162
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 15071480) is 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is GKHJDIMQOWKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-15(16-4-2-3-5-17(16)19-14)6-9-20-10-7-18(8-11-20)21-12-13-22-18/h2-5,19H,6-13H2,1H3.
What are the key properties of 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 300.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 15071480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).