6-butan-2-yl-3-methyl-N-propylquinolin-2-amine

C17H24N2 — CID 63526288

IUPAC6-butan-2-yl-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2ccc(C(C)CC)cc2cc1C
InChIInChI=1S/C17H24N2/c1-5-9-18-17-13(4)10-15-11-14(12(3)6-2)7-8-16(15)19-17/h7-8,10-12H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyUWKLPKZSLFIYBF-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.88
Rot. Bonds5

About 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine

6-butan-2-yl-3-methyl-N-propylquinolin-2-amine (PubChem CID 63526288) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name6-butan-2-yl-3-methyl-N-propylquinolin-2-amine
PubChem CID63526288
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name6-butan-2-yl-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2ccc(C(C)CC)cc2cc1C
InChIInChI=1S/C17H24N2/c1-5-9-18-17-13(4)10-15-11-14(12(3)6-2)7-8-16(15)19-17/h7-8,10-12H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyUWKLPKZSLFIYBF-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.88
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-3-methyl-N-propylquinolin-2-amine?
The IUPAC name of 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine (CID 63526288) is 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine.
What is the SMILES notation for 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine?
The canonical SMILES for 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine is CCCNc1nc2ccc(C(C)CC)cc2cc1C.
What is the InChIKey of 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine?
The InChIKey is UWKLPKZSLFIYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-9-18-17-13(4)10-15-11-14(12(3)6-2)7-8-16(15)19-17/h7-8,10-12H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine?
6-butan-2-yl-3-methyl-N-propylquinolin-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-methyl-N-propylquinolin-2-amine is sourced from PubChem (CID 63526288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).