1-(2-methylbutan-2-yl)-2H-quinoline

C14H19N — CID 3051407

IUPAC1-(2-methylbutan-2-yl)-2H-quinoline
SMILESCCC(C)(C)N1CC=Cc2ccccc21
InChIInChI=1S/C14H19N/c1-4-14(2,3)15-11-7-9-12-8-5-6-10-13(12)15/h5-10H,4,11H2,1-3H3
InChIKeyBCXUVFCAPBSIKA-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.71
Rot. Bonds2

About 1-(2-methylbutan-2-yl)-2H-quinoline

1-(2-methylbutan-2-yl)-2H-quinoline (PubChem CID 3051407) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-2H-quinoline.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-2H-quinoline
PubChem CID3051407
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2-methylbutan-2-yl)-2H-quinoline
SMILESCCC(C)(C)N1CC=Cc2ccccc21
InChIInChI=1S/C14H19N/c1-4-14(2,3)15-11-7-9-12-8-5-6-10-13(12)15/h5-10H,4,11H2,1-3H3
InChIKeyBCXUVFCAPBSIKA-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-2H-quinoline?
The IUPAC name of 1-(2-methylbutan-2-yl)-2H-quinoline (CID 3051407) is 1-(2-methylbutan-2-yl)-2H-quinoline.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-2H-quinoline?
The canonical SMILES for 1-(2-methylbutan-2-yl)-2H-quinoline is CCC(C)(C)N1CC=Cc2ccccc21.
What is the InChIKey of 1-(2-methylbutan-2-yl)-2H-quinoline?
The InChIKey is BCXUVFCAPBSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-14(2,3)15-11-7-9-12-8-5-6-10-13(12)15/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-2H-quinoline?
1-(2-methylbutan-2-yl)-2H-quinoline has a molecular weight of 201.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-2H-quinoline is sourced from PubChem (CID 3051407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).