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

C19H28N2 — CID 63553537

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

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

6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine (PubChem CID 63553537) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine
PubChem CID63553537
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C19H28N2/c1-7-11-20-18-13(3)16(8-2)21-17-10-9-14(12-15(17)18)19(4,5)6/h9-10,12H,7-8,11H2,1-6H3,(H,20,21)
InChIKeyUILLGKMVSQASIJ-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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Related Compounds

6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine
CID 63481112
6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480956
6-tert-butyl-2-ethyl-N-propylquinolin-4-amine
CID 63480958
8-chloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63560531
6-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 63480524
6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
CID 107628851
6,8-dichloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63562406
7-[1,1-bis(methylsulfonyl)ethyl]-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 139794164
2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 63562434
6-ethoxy-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480039
2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479722
2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine
CID 171793409

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine?
The IUPAC name of 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine (CID 63553537) is 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine is CCCNc1c(C)c(CC)nc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine?
The InChIKey is UILLGKMVSQASIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-7-11-20-18-13(3)16(8-2)21-17-10-9-14(12-15(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-2-ethyl-3-methyl-N-propylquinolin-4-amine?
6-tert-butyl-2-ethyl-3-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-2-ethyl-3-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63553537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).