2,2,4-trimethyl-6-pentyl-1H-quinoline

C17H25N — CID 66970055

IUPAC2,2,4-trimethyl-6-pentyl-1H-quinoline
SMILESCCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C17H25N/c1-5-6-7-8-14-9-10-16-15(11-14)13(2)12-17(3,4)18-16/h9-12,18H,5-8H2,1-4H3
InChIKeyRSWAMYBXJMXCNO-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.03
Rot. Bonds4

About 2,2,4-trimethyl-6-pentyl-1H-quinoline

2,2,4-trimethyl-6-pentyl-1H-quinoline (PubChem CID 66970055) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-pentyl-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-pentyl-1H-quinoline
PubChem CID66970055
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,2,4-trimethyl-6-pentyl-1H-quinoline
SMILESCCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C17H25N/c1-5-6-7-8-14-9-10-16-15(11-14)13(2)12-17(3,4)18-16/h9-12,18H,5-8H2,1-4H3
InChIKeyRSWAMYBXJMXCNO-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.03
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

6-dodecyl-2,2,4-trimethyl-1H-quinolin-1-ium
CID 22012809
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
1,2-dimethyl-4-octylbenzene
CID 14044616
4-heptyl-2-methylaniline
CID 23348805
4,4,5,5-tetramethyl-2-(2-methyl-5-octylphenyl)-1,3,2-dioxaborolane
CID 150064659
1-butyl-4-nonylbenzene
CID 59545302
2-fluoro-4-pentylaniline
CID 146198864
1-methyl-4-octylbenzene
CID 11052746
1,3-di(tetradecyl)benzene
CID 91053224
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
4-hexyl-2-methoxyaniline
CID 70551686
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-pentyl-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-pentyl-1H-quinoline (CID 66970055) is 2,2,4-trimethyl-6-pentyl-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-pentyl-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-pentyl-1H-quinoline is CCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 2,2,4-trimethyl-6-pentyl-1H-quinoline?
The InChIKey is RSWAMYBXJMXCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-5-6-7-8-14-9-10-16-15(11-14)13(2)12-17(3,4)18-16/h9-12,18H,5-8H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-6-pentyl-1H-quinoline?
2,2,4-trimethyl-6-pentyl-1H-quinoline has a molecular weight of 243.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-pentyl-1H-quinoline is sourced from PubChem (CID 66970055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).