2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C15H28N4 — CID 62474770

IUPAC2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCN2CCN(C)CC2)c(C)n1C
InChIInChI=1S/C15H28N4/c1-13-11-15(14(2)18(13)4)12-16-5-6-19-9-7-17(3)8-10-19/h11,16H,5-10,12H2,1-4H3
InChIKeyJBQZPEPYMVVOGE-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.98
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 62474770) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID62474770
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCN2CCN(C)CC2)c(C)n1C
InChIInChI=1S/C15H28N4/c1-13-11-15(14(2)18(13)4)12-16-5-6-19-9-7-17(3)8-10-19/h11,16H,5-10,12H2,1-4H3
InChIKeyJBQZPEPYMVVOGE-UHFFFAOYSA-N
XLogP0.98
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 6919000
CID 6919000
CID 2222065
CID 2222065
CID 11805737
CID 11805737
CID 247631
CID 247631
CID 737232
CID 737232
CID 44384137
CID 44384137
CID 23634543
CID 23634543
CID 666453
CID 666453
CID 22493233
CID 22493233
CID 23635162
CID 23635162
CID 2442134
CID 2442134
CID 1519416
CID 1519416

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 62474770) is 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNCCN2CCN(C)CC2)c(C)n1C.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is JBQZPEPYMVVOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13-11-15(14(2)18(13)4)12-16-5-6-19-9-7-17(3)8-10-19/h11,16H,5-10,12H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 264.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62474770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).