6-butan-2-yl-N,2,3-trimethylquinolin-4-amine

C16H22N2 — CID 55196536

IUPAC6-butan-2-yl-N,2,3-trimethylquinolin-4-amine
SMILESCCC(C)c1ccc2nc(C)c(C)c(NC)c2c1
InChIInChI=1S/C16H22N2/c1-6-10(2)13-7-8-15-14(9-13)16(17-5)11(3)12(4)18-15/h7-10H,6H2,1-5H3,(H,17,18)
InChIKeyCOAPBMHPVQQAAI-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.41
Rot. Bonds3

About 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine

6-butan-2-yl-N,2,3-trimethylquinolin-4-amine (PubChem CID 55196536) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine.

Molecular Properties

Compound Name6-butan-2-yl-N,2,3-trimethylquinolin-4-amine
PubChem CID55196536
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-butan-2-yl-N,2,3-trimethylquinolin-4-amine
SMILESCCC(C)c1ccc2nc(C)c(C)c(NC)c2c1
InChIInChI=1S/C16H22N2/c1-6-10(2)13-7-8-15-14(9-13)16(17-5)11(3)12(4)18-15/h7-10H,6H2,1-5H3,(H,17,18)
InChIKeyCOAPBMHPVQQAAI-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine?
The IUPAC name of 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine (CID 55196536) is 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine.
What is the SMILES notation for 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine?
The canonical SMILES for 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine is CCC(C)c1ccc2nc(C)c(C)c(NC)c2c1.
What is the InChIKey of 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine?
The InChIKey is COAPBMHPVQQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-6-10(2)13-7-8-15-14(9-13)16(17-5)11(3)12(4)18-15/h7-10H,6H2,1-5H3,(H,17,18).
What are the key properties of 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine?
6-butan-2-yl-N,2,3-trimethylquinolin-4-amine has a molecular weight of 242.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N,2,3-trimethylquinolin-4-amine is sourced from PubChem (CID 55196536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).