6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline

C14H20BNO2 — CID 141151193

IUPAC6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)COB(c2ccc3c(c2)CCCN3)OC1
InChIInChI=1S/C14H20BNO2/c1-14(2)9-17-15(18-10-14)12-5-6-13-11(8-12)4-3-7-16-13/h5-6,8,16H,3-4,7,9-10H2,1-2H3
InChIKeyPOUQQLHSCADDPK-UHFFFAOYSA-N
MW245.13 g/mol
LogP1.81
Rot. Bonds1

About 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline

6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 141151193) has the molecular formula C14H20BNO2 and a molecular weight of 245.13 g/mol. Its IUPAC name is 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID141151193
Molecular FormulaC14H20BNO2
Molecular Weight245.13 g/mol
Exact Mass245.16
IUPAC Name6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)COB(c2ccc3c(c2)CCCN3)OC1
InChIInChI=1S/C14H20BNO2/c1-14(2)9-17-15(18-10-14)12-5-6-13-11(8-12)4-3-7-16-13/h5-6,8,16H,3-4,7,9-10H2,1-2H3
InChIKeyPOUQQLHSCADDPK-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 138039598
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
6-ethynyl-1,2,3,4-tetrahydroquinoline
CID 19702071
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075316
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoxaline
CID 133060729
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304

Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline (CID 141151193) is 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline is CC1(C)COB(c2ccc3c(c2)CCCN3)OC1.
What is the InChIKey of 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is POUQQLHSCADDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BNO2/c1-14(2)9-17-15(18-10-14)12-5-6-13-11(8-12)4-3-7-16-13/h5-6,8,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.13 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 141151193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).