2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline

C18H25NO2 — CID 79910044

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(CC1CCOC3(CCOC3)C1)N2
InChIInChI=1S/C18H25NO2/c1-2-4-17-15(3-1)5-6-16(19-17)11-14-7-9-21-18(12-14)8-10-20-13-18/h1-4,14,16,19H,5-13H2
InChIKeyILWDCAHTJGWYTA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.39
Rot. Bonds2

About 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline

2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 79910044) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID79910044
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(CC1CCOC3(CCOC3)C1)N2
InChIInChI=1S/C18H25NO2/c1-2-4-17-15(3-1)5-6-16(19-17)11-14-7-9-21-18(12-14)8-10-20-13-18/h1-4,14,16,19H,5-13H2
InChIKeyILWDCAHTJGWYTA-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
CID 106780797
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol
CID 79923532
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
3-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)pyridin-2-amine
CID 79920725
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 79910044) is 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CCC(CC1CCOC3(CCOC3)C1)N2.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ILWDCAHTJGWYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-4-17-15(3-1)5-6-16(19-17)11-14-7-9-21-18(12-14)8-10-20-13-18/h1-4,14,16,19H,5-13H2.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline?
2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79910044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).