N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

C13H24N4 — CID 115239646

IUPACN-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESCN(CCC1CNCCN1C)Cc1ccc[nH]1
InChIInChI=1S/C13H24N4/c1-16(11-12-4-3-6-15-12)8-5-13-10-14-7-9-17(13)2/h3-4,6,13-15H,5,7-11H2,1-2H3
InChIKeyFPPRMXLWFWXMMB-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.74
Rot. Bonds5

About N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 115239646) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID115239646
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESCN(CCC1CNCCN1C)Cc1ccc[nH]1
InChIInChI=1S/C13H24N4/c1-16(11-12-4-3-6-15-12)8-5-13-10-14-7-9-17(13)2/h3-4,6,13-15H,5,7-11H2,1-2H3
InChIKeyFPPRMXLWFWXMMB-UHFFFAOYSA-N
XLogP0.74
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115239656
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 115255504
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 115238990
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238410
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 115238718
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
1-methyl-2-(2-naphthalen-2-ylethyl)piperazine
CID 116928404
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
CID 115239598

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 115239646) is N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is CN(CCC1CNCCN1C)Cc1ccc[nH]1.
What is the InChIKey of N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is FPPRMXLWFWXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(11-12-4-3-6-15-12)8-5-13-10-14-7-9-17(13)2/h3-4,6,13-15H,5,7-11H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 115239646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).