3-butylquinolin-2-amine

C13H16N2 — CID 10703219

IUPAC3-butylquinolin-2-amine
SMILESCCCCc1cc2ccccc2nc1N
InChIInChI=1S/C13H16N2/c1-2-3-6-11-9-10-7-4-5-8-12(10)15-13(11)14/h4-5,7-9H,2-3,6H2,1H3,(H2,14,15)
InChIKeyIHTBKVYBYWJXII-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.16
Rot. Bonds3

About 3-butylquinolin-2-amine

3-butylquinolin-2-amine (PubChem CID 10703219) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-butylquinolin-2-amine.

Molecular Properties

Compound Name3-butylquinolin-2-amine
PubChem CID10703219
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-butylquinolin-2-amine
SMILESCCCCc1cc2ccccc2nc1N
InChIInChI=1S/C13H16N2/c1-2-3-6-11-9-10-7-4-5-8-12(10)15-13(11)14/h4-5,7-9H,2-3,6H2,1H3,(H2,14,15)
InChIKeyIHTBKVYBYWJXII-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butylquinolin-2-amine?
The IUPAC name of 3-butylquinolin-2-amine (CID 10703219) is 3-butylquinolin-2-amine.
What is the SMILES notation for 3-butylquinolin-2-amine?
The canonical SMILES for 3-butylquinolin-2-amine is CCCCc1cc2ccccc2nc1N.
What is the InChIKey of 3-butylquinolin-2-amine?
The InChIKey is IHTBKVYBYWJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-6-11-9-10-7-4-5-8-12(10)15-13(11)14/h4-5,7-9H,2-3,6H2,1H3,(H2,14,15).
What are the key properties of 3-butylquinolin-2-amine?
3-butylquinolin-2-amine has a molecular weight of 200.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylquinolin-2-amine is sourced from PubChem (CID 10703219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).