6-(2-methylquinolin-8-yl)oxyhexan-3-amine

C16H22N2O — CID 106800887

IUPAC6-(2-methylquinolin-8-yl)oxyhexan-3-amine
SMILESCCC(N)CCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C16H22N2O/c1-3-14(17)7-5-11-19-15-8-4-6-13-10-9-12(2)18-16(13)15/h4,6,8-10,14H,3,5,7,11,17H2,1-2H3
InChIKeyKOZUFGLMNZYCNB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.44
Rot. Bonds6

About 6-(2-methylquinolin-8-yl)oxyhexan-3-amine

6-(2-methylquinolin-8-yl)oxyhexan-3-amine (PubChem CID 106800887) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-(2-methylquinolin-8-yl)oxyhexan-3-amine.

Molecular Properties

Compound Name6-(2-methylquinolin-8-yl)oxyhexan-3-amine
PubChem CID106800887
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name6-(2-methylquinolin-8-yl)oxyhexan-3-amine
SMILESCCC(N)CCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C16H22N2O/c1-3-14(17)7-5-11-19-15-8-4-6-13-10-9-12(2)18-16(13)15/h4,6,8-10,14H,3,5,7,11,17H2,1-2H3
InChIKeyKOZUFGLMNZYCNB-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(2-methylquinolin-8-yl)oxyhexan-3-amine?
The IUPAC name of 6-(2-methylquinolin-8-yl)oxyhexan-3-amine (CID 106800887) is 6-(2-methylquinolin-8-yl)oxyhexan-3-amine.
What is the SMILES notation for 6-(2-methylquinolin-8-yl)oxyhexan-3-amine?
The canonical SMILES for 6-(2-methylquinolin-8-yl)oxyhexan-3-amine is CCC(N)CCCOc1cccc2ccc(C)nc12.
What is the InChIKey of 6-(2-methylquinolin-8-yl)oxyhexan-3-amine?
The InChIKey is KOZUFGLMNZYCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-14(17)7-5-11-19-15-8-4-6-13-10-9-12(2)18-16(13)15/h4,6,8-10,14H,3,5,7,11,17H2,1-2H3.
What are the key properties of 6-(2-methylquinolin-8-yl)oxyhexan-3-amine?
6-(2-methylquinolin-8-yl)oxyhexan-3-amine has a molecular weight of 258.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylquinolin-8-yl)oxyhexan-3-amine is sourced from PubChem (CID 106800887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).