2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline

C18H27N — CID 106779529

IUPAC2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCC(C2Nc3ccccc3CC2C)CC1C
InChIInChI=1S/C18H27N/c1-12-8-9-16(10-13(12)2)18-14(3)11-15-6-4-5-7-17(15)19-18/h4-7,12-14,16,18-19H,8-11H2,1-3H3
InChIKeyOLSQANHWZHJYGJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.73
Rot. Bonds1

About 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline

2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106779529) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106779529
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCC(C2Nc3ccccc3CC2C)CC1C
InChIInChI=1S/C18H27N/c1-12-8-9-16(10-13(12)2)18-14(3)11-15-6-4-5-7-17(15)19-18/h4-7,12-14,16,18-19H,8-11H2,1-3H3
InChIKeyOLSQANHWZHJYGJ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781039
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 64738857
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
formic acid;2-methyl-2,3-dihydro-1H-indole
CID 144722451
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
2-cyclohexyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165487729

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline (CID 106779529) is 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline is CC1CCC(C2Nc3ccccc3CC2C)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is OLSQANHWZHJYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12-8-9-16(10-13(12)2)18-14(3)11-15-6-4-5-7-17(15)19-18/h4-7,12-14,16,18-19H,8-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.42 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).