1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline

C14H23N — CID 66600236

IUPAC1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCCCCN1CCCC2CC(C)=CC=C21
InChIInChI=1S/C14H23N/c1-3-4-9-15-10-5-6-13-11-12(2)7-8-14(13)15/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyGARFGPHCLUENLC-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.73
Rot. Bonds3

About 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline

1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 66600236) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID66600236
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCCCCN1CCCC2CC(C)=CC=C21
InChIInChI=1S/C14H23N/c1-3-4-9-15-10-5-6-13-11-12(2)7-8-14(13)15/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyGARFGPHCLUENLC-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 66600236) is 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline is CCCCN1CCCC2CC(C)=CC=C21.
What is the InChIKey of 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is GARFGPHCLUENLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-9-15-10-5-6-13-11-12(2)7-8-14(13)15/h7-8,13H,3-6,9-11H2,1-2H3.
What are the key properties of 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 205.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 66600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).