3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine

C17H22N2O — CID 106205250

IUPAC3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1COCCC1CCC1
InChIInChI=1S/C17H22N2O/c1-18-17-15(12-20-10-9-13-5-4-6-13)11-14-7-2-3-8-16(14)19-17/h2-3,7-8,11,13H,4-6,9-10,12H2,1H3,(H,18,19)
InChIKeyBSIONVHREKRZAS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.98
Rot. Bonds6

About 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine

3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine (PubChem CID 106205250) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine
PubChem CID106205250
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1COCCC1CCC1
InChIInChI=1S/C17H22N2O/c1-18-17-15(12-20-10-9-13-5-4-6-13)11-14-7-2-3-8-16(14)19-17/h2-3,7-8,11,13H,4-6,9-10,12H2,1H3,(H,18,19)
InChIKeyBSIONVHREKRZAS-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.98
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 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine?
The IUPAC name of 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine (CID 106205250) is 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine?
The canonical SMILES for 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine is CNc1nc2ccccc2cc1COCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine?
The InChIKey is BSIONVHREKRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-17-15(12-20-10-9-13-5-4-6-13)11-14-7-2-3-8-16(14)19-17/h2-3,7-8,11,13H,4-6,9-10,12H2,1H3,(H,18,19).
What are the key properties of 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine?
3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 106205250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).