6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine

C19H28N2 — CID 63480956

IUPAC6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C19H28N2/c1-7-11-20-18-15(8-2)13(3)21-17-10-9-14(12-16(17)18)19(4,5)6/h9-10,12H,7-8,11H2,1-6H3,(H,20,21)
InChIKeyBLGXFCMRODQHRR-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.23
Rot. Bonds4

About 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine

6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine (PubChem CID 63480956) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
PubChem CID63480956
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C19H28N2/c1-7-11-20-18-15(8-2)13(3)21-17-10-9-14(12-16(17)18)19(4,5)6/h9-10,12H,7-8,11H2,1-6H3,(H,20,21)
InChIKeyBLGXFCMRODQHRR-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine (CID 63480956) is 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The InChIKey is BLGXFCMRODQHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-7-11-20-18-15(8-2)13(3)21-17-10-9-14(12-16(17)18)19(4,5)6/h9-10,12H,7-8,11H2,1-6H3,(H,20,21).
What are the key properties of 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine?
6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine has a molecular weight of 284.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).