4-(2,6-dimethylquinolin-4-yl)butan-1-amine

C15H20N2 — CID 82577777

IUPAC4-(2,6-dimethylquinolin-4-yl)butan-1-amine
SMILESCc1ccc2nc(C)cc(CCCCN)c2c1
InChIInChI=1S/C15H20N2/c1-11-6-7-15-14(9-11)13(5-3-4-8-16)10-12(2)17-15/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyAFIFETIUKLURIZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.13
Rot. Bonds4

About 4-(2,6-dimethylquinolin-4-yl)butan-1-amine

4-(2,6-dimethylquinolin-4-yl)butan-1-amine (PubChem CID 82577777) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2,6-dimethylquinolin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylquinolin-4-yl)butan-1-amine
PubChem CID82577777
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(2,6-dimethylquinolin-4-yl)butan-1-amine
SMILESCc1ccc2nc(C)cc(CCCCN)c2c1
InChIInChI=1S/C15H20N2/c1-11-6-7-15-14(9-11)13(5-3-4-8-16)10-12(2)17-15/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyAFIFETIUKLURIZ-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylquinolin-4-yl)butan-1-amine?
The IUPAC name of 4-(2,6-dimethylquinolin-4-yl)butan-1-amine (CID 82577777) is 4-(2,6-dimethylquinolin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(2,6-dimethylquinolin-4-yl)butan-1-amine?
The canonical SMILES for 4-(2,6-dimethylquinolin-4-yl)butan-1-amine is Cc1ccc2nc(C)cc(CCCCN)c2c1.
What is the InChIKey of 4-(2,6-dimethylquinolin-4-yl)butan-1-amine?
The InChIKey is AFIFETIUKLURIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-7-15-14(9-11)13(5-3-4-8-16)10-12(2)17-15/h6-7,9-10H,3-5,8,16H2,1-2H3.
What are the key properties of 4-(2,6-dimethylquinolin-4-yl)butan-1-amine?
4-(2,6-dimethylquinolin-4-yl)butan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylquinolin-4-yl)butan-1-amine is sourced from PubChem (CID 82577777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).