2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine

C17H25N3O — CID 115485824

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
SMILESCCC(C)N(CCOC)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-14-11-16(18)15-7-5-6-8-17(15)19-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyPLURDPHOSAGSEF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.06
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine (PubChem CID 115485824) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
PubChem CID115485824
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
SMILESCCC(C)N(CCOC)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-14-11-16(18)15-7-5-6-8-17(15)19-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyPLURDPHOSAGSEF-UHFFFAOYSA-N
XLogP3.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine (CID 115485824) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine is CCC(C)N(CCOC)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
The InChIKey is PLURDPHOSAGSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-14-11-16(18)15-7-5-6-8-17(15)19-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19).
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).