2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline

C16H25N — CID 106778414

IUPAC2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCCCC1Nc2ccccc2CC1C
InChIInChI=1S/C16H25N/c1-3-4-5-6-10-15-13(2)12-14-9-7-8-11-16(14)17-15/h7-9,11,13,15,17H,3-6,10,12H2,1-2H3
InChIKeyHGRGZWIGVVTYLI-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.63
Rot. Bonds5

About 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline

2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106778414) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106778414
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCCCC1Nc2ccccc2CC1C
InChIInChI=1S/C16H25N/c1-3-4-5-6-10-15-13(2)12-14-9-7-8-11-16(14)17-15/h7-9,11,13,15,17H,3-6,10,12H2,1-2H3
InChIKeyHGRGZWIGVVTYLI-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline (CID 106778414) is 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline is CCCCCCC1Nc2ccccc2CC1C.
What is the InChIKey of 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HGRGZWIGVVTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-4-5-6-10-15-13(2)12-14-9-7-8-11-16(14)17-15/h7-9,11,13,15,17H,3-6,10,12H2,1-2H3.
What are the key properties of 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline?
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 231.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).