2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline

C15H23N — CID 70364652

IUPAC2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
SMILESCCCCCC1CCC=C2C=CC(C)=NC21
InChIInChI=1S/C15H23N/c1-3-4-5-7-13-8-6-9-14-11-10-12(2)16-15(13)14/h9-11,13,15H,3-8H2,1-2H3
InChIKeyVOKOYHRQDRZLLV-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.30
Rot. Bonds4

About 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline

2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline (PubChem CID 70364652) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
PubChem CID70364652
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
SMILESCCCCCC1CCC=C2C=CC(C)=NC21
InChIInChI=1S/C15H23N/c1-3-4-5-7-13-8-6-9-14-11-10-12(2)16-15(13)14/h9-11,13,15H,3-8H2,1-2H3
InChIKeyVOKOYHRQDRZLLV-UHFFFAOYSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline?
The IUPAC name of 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline (CID 70364652) is 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline is CCCCCC1CCC=C2C=CC(C)=NC21.
What is the InChIKey of 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline?
The InChIKey is VOKOYHRQDRZLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-5-7-13-8-6-9-14-11-10-12(2)16-15(13)14/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline?
2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 70364652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).