2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline

C17H25N — CID 65042054

IUPAC2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCC(C2CCc3ccccc3N2)C1
InChIInChI=1S/C17H25N/c1-2-13-6-5-8-15(12-13)17-11-10-14-7-3-4-9-16(14)18-17/h3-4,7,9,13,15,17-18H,2,5-6,8,10-12H2,1H3
InChIKeyFQOBALRKVFZQRT-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.63
Rot. Bonds2

About 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline

2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 65042054) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
PubChem CID65042054
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCC(C2CCc3ccccc3N2)C1
InChIInChI=1S/C17H25N/c1-2-13-6-5-8-15(12-13)17-11-10-14-7-3-4-9-16(14)18-17/h3-4,7,9,13,15,17-18H,2,5-6,8,10-12H2,1H3
InChIKeyFQOBALRKVFZQRT-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352
3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779729
2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 83261284
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65086041
N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 61468172
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
2,3-dihydro-1H-inden-1-yl-(3-ethylcyclohexyl)methanamine
CID 65406297
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline (CID 65042054) is 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline is CCC1CCCC(C2CCc3ccccc3N2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FQOBALRKVFZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-13-6-5-8-15(12-13)17-11-10-14-7-3-4-9-16(14)18-17/h3-4,7,9,13,15,17-18H,2,5-6,8,10-12H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 65042054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).