7-octyl-1,2,3,4-tetrahydroquinoline

C17H27N — CID 106778470

IUPAC7-octyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCCCCCc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-9-15-11-12-16-10-8-13-18-17(16)14-15/h11-12,14,18H,2-10,13H2,1H3
InChIKeyFHCOXRDJUMSCOV-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.95
Rot. Bonds7

About 7-octyl-1,2,3,4-tetrahydroquinoline

7-octyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106778470) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 7-octyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-octyl-1,2,3,4-tetrahydroquinoline
PubChem CID106778470
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name7-octyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCCCCCc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-9-15-11-12-16-10-8-13-18-17(16)14-15/h11-12,14,18H,2-10,13H2,1H3
InChIKeyFHCOXRDJUMSCOV-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(3-ethylhexyl)-1,2,3,4-tetrahydroquinoline
CID 146637346
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81217490
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 107313986
6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105433
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305

Frequently Asked Questions

What is the IUPAC name of 7-octyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-octyl-1,2,3,4-tetrahydroquinoline (CID 106778470) is 7-octyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-octyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-octyl-1,2,3,4-tetrahydroquinoline is CCCCCCCCc1ccc2c(c1)NCCC2.
What is the InChIKey of 7-octyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is FHCOXRDJUMSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-5-6-7-9-15-11-12-16-10-8-13-18-17(16)14-15/h11-12,14,18H,2-10,13H2,1H3.
What are the key properties of 7-octyl-1,2,3,4-tetrahydroquinoline?
7-octyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-octyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).