6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline

C20H27N — CID 86078546

IUPAC6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
SMILESCCCCCCc1nc2ccccc2c2c1CCCCC2
InChIInChI=1S/C20H27N/c1-2-3-4-8-14-19-17-12-7-5-6-11-16(17)18-13-9-10-15-20(18)21-19/h9-10,13,15H,2-8,11-12,14H2,1H3
InChIKeyIYJHEMVQQLNWQA-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.63
Rot. Bonds5

About 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline

6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline (PubChem CID 86078546) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline.

Molecular Properties

Compound Name6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
PubChem CID86078546
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
SMILESCCCCCCc1nc2ccccc2c2c1CCCCC2
InChIInChI=1S/C20H27N/c1-2-3-4-8-14-19-17-12-7-5-6-11-16(17)18-13-9-10-15-20(18)21-19/h9-10,13,15H,2-8,11-12,14H2,1H3
InChIKeyIYJHEMVQQLNWQA-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 86078544
4-chloro-2,3-didecylquinoline
CID 141080010
3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265
4-pentyl-2-phenylquinazoline
CID 122226497
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 102460361
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
1-methyl-5-pentyl-3-phenyl-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinoline
CID 102138469
2-hexyl-4-methylquinoline
CID 504074
2,3-dibutylquinoxaline
CID 14641798
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
4-hexyl-2-methylquinoline
CID 12861362
2-chloro-4-pentadecylquinoline
CID 3679887

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline?
The IUPAC name of 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline (CID 86078546) is 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline.
What is the SMILES notation for 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline?
The canonical SMILES for 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline is CCCCCCc1nc2ccccc2c2c1CCCCC2.
What is the InChIKey of 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline?
The InChIKey is IYJHEMVQQLNWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-3-4-8-14-19-17-12-7-5-6-11-16(17)18-13-9-10-15-20(18)21-19/h9-10,13,15H,2-8,11-12,14H2,1H3.
What are the key properties of 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline?
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline has a molecular weight of 281.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline is sourced from PubChem (CID 86078546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).