N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine

C15H20N2 — CID 63199652

IUPACN-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
SMILESCNC(C)C(C)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2/c1-10-9-14(11(2)12(3)16-4)13-7-5-6-8-15(13)17-10/h5-9,11-12,16H,1-4H3
InChIKeyLZWTXSPMVKXIHT-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.25
Rot. Bonds3

About N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine

N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine (PubChem CID 63199652) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
PubChem CID63199652
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
SMILESCNC(C)C(C)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2/c1-10-9-14(11(2)12(3)16-4)13-7-5-6-8-15(13)17-10/h5-9,11-12,16H,1-4H3
InChIKeyLZWTXSPMVKXIHT-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105173392
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080
4-[1-(4-methoxyphenyl)ethyl]-2-methylquinoline
CID 123434354
N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105112992
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine (CID 63199652) is N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine is CNC(C)C(C)c1cc(C)nc2ccccc12.
What is the InChIKey of N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine?
The InChIKey is LZWTXSPMVKXIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-9-14(11(2)12(3)16-4)13-7-5-6-8-15(13)17-10/h5-9,11-12,16H,1-4H3.
What are the key properties of N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine?
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine is sourced from PubChem (CID 63199652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).