N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine

C15H20N2 — CID 105080240

IUPACN-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
SMILESCCCC(NC)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2/c1-4-7-14(16-3)13-10-11(2)17-15-9-6-5-8-12(13)15/h5-6,8-10,14,16H,4,7H2,1-3H3
InChIKeyTUUFQMXCMWCXOH-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine

N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine (PubChem CID 105080240) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
PubChem CID105080240
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
SMILESCCCC(NC)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H20N2/c1-4-7-14(16-3)13-10-11(2)17-15-9-6-5-8-12(13)15/h5-6,8-10,14,16H,4,7H2,1-3H3
InChIKeyTUUFQMXCMWCXOH-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105112992
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
2-cyclopropyl-N-ethyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105152893
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
CID 105080249
1-(2,6-dimethyl-4-pyridinyl)-N-methylbutan-1-amine
CID 107503528
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine?
The IUPAC name of N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine (CID 105080240) is N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine is CCCC(NC)c1cc(C)nc2ccccc12.
What is the InChIKey of N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine?
The InChIKey is TUUFQMXCMWCXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-7-14(16-3)13-10-11(2)17-15-9-6-5-8-12(13)15/h5-6,8-10,14,16H,4,7H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine?
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine is sourced from PubChem (CID 105080240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).