6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C19H29N — CID 105379430

IUPAC6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C)CC(Cc2ccc3c(c2)CCC(C)N3)C1
InChIInChI=1S/C19H29N/c1-13-8-14(2)10-17(9-13)11-16-5-7-19-18(12-16)6-4-15(3)20-19/h5,7,12-15,17,20H,4,6,8-11H2,1-3H3
InChIKeyUXANBOOLUXAVJV-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.05
Rot. Bonds2

About 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 105379430) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID105379430
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C)CC(Cc2ccc3c(c2)CCC(C)N3)C1
InChIInChI=1S/C19H29N/c1-13-8-14(2)10-17(9-13)11-16-5-7-19-18(12-16)6-4-15(3)20-19/h5,7,12-15,17,20H,4,6,8-11H2,1-3H3
InChIKeyUXANBOOLUXAVJV-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105379418
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
CID 106778090
2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103131685
6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379498
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106779904
6-[2-(2-methoxyphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379417
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780140
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 105379430) is 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CC(C)CC(Cc2ccc3c(c2)CCC(C)N3)C1.
What is the InChIKey of 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is UXANBOOLUXAVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-13-8-14(2)10-17(9-13)11-16-5-7-19-18(12-16)6-4-15(3)20-19/h5,7,12-15,17,20H,4,6,8-11H2,1-3H3.
What are the key properties of 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 271.45 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105379430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).