[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine

C17H24N4 — CID 80503449

IUPAC[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
SMILESCc1cc(CN2CCN(C)CC2CN)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-13-9-14(16-5-3-4-6-17(16)19-13)11-21-8-7-20(2)12-15(21)10-18/h3-6,9,15H,7-8,10-12,18H2,1-2H3
InChIKeyJMIYJDCAAZKXTJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.62
Rot. Bonds3

About [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine

[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine (PubChem CID 80503449) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
PubChem CID80503449
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
SMILESCc1cc(CN2CCN(C)CC2CN)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-13-9-14(16-5-3-4-6-17(16)19-13)11-21-8-7-20(2)12-15(21)10-18/h3-6,9,15H,7-8,10-12,18H2,1-2H3
InChIKeyJMIYJDCAAZKXTJ-UHFFFAOYSA-N
XLogP1.62
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80703416
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
[4-methyl-1-[(2-nitrophenyl)methyl]piperazin-2-yl]methanamine
CID 80505308
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine (CID 80503449) is [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine is Cc1cc(CN2CCN(C)CC2CN)c2ccccc2n1.
What is the InChIKey of [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine?
The InChIKey is JMIYJDCAAZKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-9-14(16-5-3-4-6-17(16)19-13)11-21-8-7-20(2)12-15(21)10-18/h3-6,9,15H,7-8,10-12,18H2,1-2H3.
What are the key properties of [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine?
[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80503449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).