4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine

C18H26N2O — CID 82577769

IUPAC4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
SMILESCc1cc(CCCCN)nc2ccc(OCC(C)C)cc12
InChIInChI=1S/C18H26N2O/c1-13(2)12-21-16-7-8-18-17(11-16)14(3)10-15(20-18)6-4-5-9-19/h7-8,10-11,13H,4-6,9,12,19H2,1-3H3
InChIKeySPHXYJDCRRWWER-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.86
Rot. Bonds7

About 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine

4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine (PubChem CID 82577769) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
PubChem CID82577769
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
SMILESCc1cc(CCCCN)nc2ccc(OCC(C)C)cc12
InChIInChI=1S/C18H26N2O/c1-13(2)12-21-16-7-8-18-17(11-16)14(3)10-15(20-18)6-4-5-9-19/h7-8,10-11,13H,4-6,9,12,19H2,1-3H3
InChIKeySPHXYJDCRRWWER-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.86
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 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine?
The IUPAC name of 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine (CID 82577769) is 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine.
What is the SMILES notation for 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine?
The canonical SMILES for 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine is Cc1cc(CCCCN)nc2ccc(OCC(C)C)cc12.
What is the InChIKey of 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine?
The InChIKey is SPHXYJDCRRWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)12-21-16-7-8-18-17(11-16)14(3)10-15(20-18)6-4-5-9-19/h7-8,10-11,13H,4-6,9,12,19H2,1-3H3.
What are the key properties of 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine?
4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine is sourced from PubChem (CID 82577769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).