7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline

C17H27N — CID 146637346

IUPAC7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC(CC)CCc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H27N/c1-3-6-14(4-2)8-9-15-10-11-16-7-5-12-18-17(16)13-15/h10-11,13-14,18H,3-9,12H2,1-2H3
InChIKeyROYGMCMNIQGVIL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.80
Rot. Bonds6

About 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline

7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 146637346) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline
PubChem CID146637346
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC(CC)CCc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H27N/c1-3-6-14(4-2)8-9-15-10-11-16-7-5-12-18-17(16)13-15/h10-11,13-14,18H,3-9,12H2,1-2H3
InChIKeyROYGMCMNIQGVIL-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
7-butan-2-yl-1,2,3,4-tetrahydroquinoline
CID 91483435
N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
CID 79676970
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 130242087
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline (CID 146637346) is 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline is CCCC(CC)CCc1ccc2c(c1)NCCC2.
What is the InChIKey of 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ROYGMCMNIQGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-6-14(4-2)8-9-15-10-11-16-7-5-12-18-17(16)13-15/h10-11,13-14,18H,3-9,12H2,1-2H3.
What are the key properties of 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline?
7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 146637346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).