4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine

C16H22N2 — CID 82577783

IUPAC4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine
SMILESCCc1ccc2nc(C)cc(CCCCN)c2c1
InChIInChI=1S/C16H22N2/c1-3-13-7-8-16-15(11-13)14(6-4-5-9-17)10-12(2)18-16/h7-8,10-11H,3-6,9,17H2,1-2H3
InChIKeyGXAYPBYPKXQJHP-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.39
Rot. Bonds5

About 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine

4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine (PubChem CID 82577783) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine
PubChem CID82577783
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine
SMILESCCc1ccc2nc(C)cc(CCCCN)c2c1
InChIInChI=1S/C16H22N2/c1-3-13-7-8-16-15(11-13)14(6-4-5-9-17)10-12(2)18-16/h7-8,10-11H,3-6,9,17H2,1-2H3
InChIKeyGXAYPBYPKXQJHP-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylquinolin-4-yl)butan-1-amine
CID 82577777
4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine
CID 82577822
(6-ethyl-2-methylquinolin-4-yl)hydrazine
CID 17040004
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448230
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82448231
2-(6-ethyl-2-methylquinolin-4-yl)propan-2-amine
CID 82448244
4-hexyl-2-methylquinoline
CID 12861362
3-(6,7-dimethoxy-2-methylquinolin-4-yl)propan-1-amine
CID 82576667
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
(2-tert-butyl-6-ethylquinolin-4-yl)methanamine
CID 82448309
4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577818
4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine
CID 82577827

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine?
The IUPAC name of 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine (CID 82577783) is 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine?
The canonical SMILES for 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine is CCc1ccc2nc(C)cc(CCCCN)c2c1.
What is the InChIKey of 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine?
The InChIKey is GXAYPBYPKXQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-13-7-8-16-15(11-13)14(6-4-5-9-17)10-12(2)18-16/h7-8,10-11H,3-6,9,17H2,1-2H3.
What are the key properties of 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine?
4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine is sourced from PubChem (CID 82577783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).