N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine

C13H22N4 — CID 115239388

IUPACN-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
SMILESCN1CCNC(CCN(C)c2cccnc2)C1
InChIInChI=1S/C13H22N4/c1-16-9-7-15-12(11-16)5-8-17(2)13-4-3-6-14-10-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3
InChIKeyOPTOSUSDUOOJNJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine

N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine (PubChem CID 115239388) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
PubChem CID115239388
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
SMILESCN1CCNC(CCN(C)c2cccnc2)C1
InChIInChI=1S/C13H22N4/c1-16-9-7-15-12(11-16)5-8-17(2)13-4-3-6-14-10-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3
InChIKeyOPTOSUSDUOOJNJ-UHFFFAOYSA-N
XLogP0.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239371
N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
CID 115239392
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
CID 116920038
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
2-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2-pyridin-3-ylpropan-1-amine
CID 115238821
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
N-methyl-N-(3-piperazin-1-ylbutyl)pyridin-3-amine
CID 115255466
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239457
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine (CID 115239388) is N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine is CN1CCNC(CCN(C)c2cccnc2)C1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine?
The InChIKey is OPTOSUSDUOOJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-9-7-15-12(11-16)5-8-17(2)13-4-3-6-14-10-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine?
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 115239388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).