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

C17H24N2O — CID 62193412

IUPAC3-(hexoxymethyl)-N-methylquinolin-2-amine
SMILESCCCCCCOCc1cc2ccccc2nc1NC
InChIInChI=1S/C17H24N2O/c1-3-4-5-8-11-20-13-15-12-14-9-6-7-10-16(14)19-17(15)18-2/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,18,19)
InChIKeyDAYJULGBJPHKRM-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.37
Rot. Bonds8

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

3-(hexoxymethyl)-N-methylquinolin-2-amine (PubChem CID 62193412) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(hexoxymethyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(hexoxymethyl)-N-methylquinolin-2-amine
PubChem CID62193412
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(hexoxymethyl)-N-methylquinolin-2-amine
SMILESCCCCCCOCc1cc2ccccc2nc1NC
InChIInChI=1S/C17H24N2O/c1-3-4-5-8-11-20-13-15-12-14-9-6-7-10-16(14)19-17(15)18-2/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,18,19)
InChIKeyDAYJULGBJPHKRM-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(hexoxymethyl)-N-methylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine
CID 63684590
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine
CID 106205250
N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
CID 62195600
2-(dodecoxymethyl)quinoline
CID 14754989
[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine
CID 55050615
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
CID 81074205
1-(hexoxymethyl)naphthalene
CID 18427527
2-(8-hexoxyoctyl)quinolin-3-amine
CID 175093877
acridine;heptane
CID 158562494
N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
CID 62193399
[3-[(4-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245063

Frequently Asked Questions

What is the IUPAC name of 3-(hexoxymethyl)-N-methylquinolin-2-amine?
The IUPAC name of 3-(hexoxymethyl)-N-methylquinolin-2-amine (CID 62193412) is 3-(hexoxymethyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(hexoxymethyl)-N-methylquinolin-2-amine?
The canonical SMILES for 3-(hexoxymethyl)-N-methylquinolin-2-amine is CCCCCCOCc1cc2ccccc2nc1NC.
What is the InChIKey of 3-(hexoxymethyl)-N-methylquinolin-2-amine?
The InChIKey is DAYJULGBJPHKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-8-11-20-13-15-12-14-9-6-7-10-16(14)19-17(15)18-2/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,18,19).
What are the key properties of 3-(hexoxymethyl)-N-methylquinolin-2-amine?
3-(hexoxymethyl)-N-methylquinolin-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexoxymethyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 62193412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).