3-butan-2-ylquinolin-2-amine

C13H16N2 — CID 118184851

IUPAC3-butan-2-ylquinolin-2-amine
SMILESCCC(C)c1cc2ccccc2nc1N
InChIInChI=1S/C13H16N2/c1-3-9(2)11-8-10-6-4-5-7-12(10)15-13(11)14/h4-9H,3H2,1-2H3,(H2,14,15)
InChIKeyKPQGPQUIHLKNOB-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.33
Rot. Bonds2

About 3-butan-2-ylquinolin-2-amine

3-butan-2-ylquinolin-2-amine (PubChem CID 118184851) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-butan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name3-butan-2-ylquinolin-2-amine
PubChem CID118184851
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-butan-2-ylquinolin-2-amine
SMILESCCC(C)c1cc2ccccc2nc1N
InChIInChI=1S/C13H16N2/c1-3-9(2)11-8-10-6-4-5-7-12(10)15-13(11)14/h4-9H,3H2,1-2H3,(H2,14,15)
InChIKeyKPQGPQUIHLKNOB-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylquinolin-2-amine?
The IUPAC name of 3-butan-2-ylquinolin-2-amine (CID 118184851) is 3-butan-2-ylquinolin-2-amine.
What is the SMILES notation for 3-butan-2-ylquinolin-2-amine?
The canonical SMILES for 3-butan-2-ylquinolin-2-amine is CCC(C)c1cc2ccccc2nc1N.
What is the InChIKey of 3-butan-2-ylquinolin-2-amine?
The InChIKey is KPQGPQUIHLKNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-9(2)11-8-10-6-4-5-7-12(10)15-13(11)14/h4-9H,3H2,1-2H3,(H2,14,15).
What are the key properties of 3-butan-2-ylquinolin-2-amine?
3-butan-2-ylquinolin-2-amine has a molecular weight of 200.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylquinolin-2-amine is sourced from PubChem (CID 118184851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).