2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline

C19H27NO — CID 79906700

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(C1CCOC3(CCCCC3)C1)N2
InChIInChI=1S/C19H27NO/c1-4-11-19(12-5-1)14-16(10-13-21-19)18-9-8-15-6-2-3-7-17(15)20-18/h2-3,6-7,16,18,20H,1,4-5,8-14H2
InChIKeyYWZGTNCAZGJWSZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.54
Rot. Bonds1

About 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline

2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 79906700) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID79906700
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(C1CCOC3(CCCCC3)C1)N2
InChIInChI=1S/C19H27NO/c1-4-11-19(12-5-1)14-16(10-13-21-19)18-9-8-15-6-2-3-7-17(15)20-18/h2-3,6-7,16,18,20H,1,4-5,8-14H2
InChIKeyYWZGTNCAZGJWSZ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106780453
2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 83261284
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79910044
1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65042027
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
CID 106780797
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
2-methyl-6-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 106780757
2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 65042054
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
CID 86182652

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline (CID 79906700) is 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CCC(C1CCOC3(CCCCC3)C1)N2.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YWZGTNCAZGJWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-11-19(12-5-1)14-16(10-13-21-19)18-9-8-15-6-2-3-7-17(15)20-18/h2-3,6-7,16,18,20H,1,4-5,8-14H2.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline?
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.43 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79906700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).