N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine

C13H22N4 — CID 79884994

IUPACN-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1ccc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H22N4/c1-11-12(10-14-2)4-5-13(15-11)17-8-6-16(3)7-9-17/h4-5,14H,6-10H2,1-3H3
InChIKeyXPQBMQJHTWGPRT-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.86
Rot. Bonds3

About N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine

N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine (PubChem CID 79884994) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
PubChem CID79884994
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1ccc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H22N4/c1-11-12(10-14-2)4-5-13(15-11)17-8-6-16(3)7-9-17/h4-5,14H,6-10H2,1-3H3
InChIKeyXPQBMQJHTWGPRT-UHFFFAOYSA-N
XLogP0.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
CID 84615161
1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 83221303
2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine
CID 67337343
2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546243
1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 102546381
N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 62742082
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 114412480
N-[[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 106316559
N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine
CID 175853527
N-[[6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 107459634
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 81150963
1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185473

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine (CID 79884994) is N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine is CNCc1ccc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is XPQBMQJHTWGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-12(10-14-2)4-5-13(15-11)17-8-6-16(3)7-9-17/h4-5,14H,6-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine?
N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79884994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).