2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline

C18H27N — CID 64955352

IUPAC2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCC(CC2CCc3ccccc3N2)C1
InChIInChI=1S/C18H27N/c1-2-14-6-5-7-15(12-14)13-17-11-10-16-8-3-4-9-18(16)19-17/h3-4,8-9,14-15,17,19H,2,5-7,10-13H2,1H3
InChIKeyZTHVCTLYRYOAQA-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.02
Rot. Bonds3

About 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline

2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 64955352) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID64955352
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCC(CC2CCc3ccccc3N2)C1
InChIInChI=1S/C18H27N/c1-2-14-6-5-7-15(12-14)13-17-11-10-16-8-3-4-9-18(16)19-17/h3-4,8-9,14-15,17,19H,2,5-7,10-13H2,1H3
InChIKeyZTHVCTLYRYOAQA-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 65042054
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65086041
3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779729
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104451
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79910044
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 64955352) is 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline is CCC1CCCC(CC2CCc3ccccc3N2)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZTHVCTLYRYOAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-14-6-5-7-15(12-14)13-17-11-10-16-8-3-4-9-18(16)19-17/h3-4,8-9,14-15,17,19H,2,5-7,10-13H2,1H3.
What are the key properties of 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline?
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.42 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 64955352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).