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

C15H23N — CID 106778499

IUPAC2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCCC1CC(C)Nc2ccccc21
InChIInChI=1S/C15H23N/c1-3-4-5-8-13-11-12(2)16-15-10-7-6-9-14(13)15/h6-7,9-10,12-13,16H,3-5,8,11H2,1-2H3
InChIKeyXKFKKRWCNUGKKG-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.55
Rot. Bonds4

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

2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106778499) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
PubChem CID106778499
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCCC1CC(C)Nc2ccccc21
InChIInChI=1S/C15H23N/c1-3-4-5-8-13-11-12(2)16-15-10-7-6-9-14(13)15/h6-7,9-10,12-13,16H,3-5,8,11H2,1-2H3
InChIKeyXKFKKRWCNUGKKG-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.55
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

2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 114933231
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
(2R,4S)-4-butoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 25242139
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
CID 71392483
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide
CID 2332403
4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82802179
N,2-dimethyl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43271515
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline (CID 106778499) is 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline is CCCCCC1CC(C)Nc2ccccc21.
What is the InChIKey of 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is XKFKKRWCNUGKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-5-8-13-11-12(2)16-15-10-7-6-9-14(13)15/h6-7,9-10,12-13,16H,3-5,8,11H2,1-2H3.
What are the key properties of 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline?
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).