2-tert-butyl-6-ethyl-N-propylquinolin-4-amine

C18H26N2 — CID 63479725

IUPAC2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2ccc(CC)cc12
InChIInChI=1S/C18H26N2/c1-6-10-19-16-12-17(18(3,4)5)20-15-9-8-13(7-2)11-14(15)16/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyOPRYZZGNHAEZEJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.92
Rot. Bonds4

About 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine

2-tert-butyl-6-ethyl-N-propylquinolin-4-amine (PubChem CID 63479725) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
PubChem CID63479725
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2ccc(CC)cc12
InChIInChI=1S/C18H26N2/c1-6-10-19-16-12-17(18(3,4)5)20-15-9-8-13(7-2)11-14(15)16/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyOPRYZZGNHAEZEJ-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine (CID 63479725) is 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine is CCCNc1cc(C(C)(C)C)nc2ccc(CC)cc12.
What is the InChIKey of 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine?
The InChIKey is OPRYZZGNHAEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-10-19-16-12-17(18(3,4)5)20-15-9-8-13(7-2)11-14(15)16/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine?
2-tert-butyl-6-ethyl-N-propylquinolin-4-amine has a molecular weight of 270.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63479725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).