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

C18H25NO2 — CID 106780788

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C18H25NO2/c1-13-10-14-4-2-3-5-16(14)19-17(13)15-6-8-21-18(11-15)7-9-20-12-18/h2-5,13,15,17,19H,6-12H2,1H3
InChIKeyHJSURLFHGUHHMA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.24
Rot. Bonds1

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

2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106780788) 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-yl)-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106780788
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C18H25NO2/c1-13-10-14-4-2-3-5-16(14)19-17(13)15-6-8-21-18(11-15)7-9-20-12-18/h2-5,13,15,17,19H,6-12H2,1H3
InChIKeyHJSURLFHGUHHMA-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
CID 106780797
2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79910044
2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779529
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-isoindole
CID 79906704
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
CID 79924212
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 79923916
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106780453

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline (CID 106780788) is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline is CC1Cc2ccccc2NC1C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HJSURLFHGUHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-10-14-4-2-3-5-16(14)19-17(13)15-6-8-21-18(11-15)7-9-20-12-18/h2-5,13,15,17,19H,6-12H2,1H3.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline?
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.40 g/mol, XLogP of 3.24, 1 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-yl)-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).