2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine

C14H24N4 — CID 54861120

IUPAC2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(NCCN2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H24N4/c1-12-11-13(3-4-14(12)15)16-5-6-18-9-7-17(2)8-10-18/h3-4,11,16H,5-10,15H2,1-2H3
InChIKeyGUXDQVFKRCGSIN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine

2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine (PubChem CID 54861120) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
PubChem CID54861120
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(NCCN2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H24N4/c1-12-11-13(3-4-14(12)15)16-5-6-18-9-7-17(2)8-10-18/h3-4,11,16H,5-10,15H2,1-2H3
InChIKeyGUXDQVFKRCGSIN-UHFFFAOYSA-N
XLogP1.24
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889277
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
CID 79826230
4-N-[3-[4-[3-(4-amino-3-methylanilino)propyl]-4-propylpiperazin-4-ium-1-yl]propyl]-2-methylbenzene-1,4-diamine
CID 90369253
4-N-[3-[4-[3-(4-amino-3-methylanilino)propyl]-4-ethylpiperazin-4-ium-1-yl]propyl]-2-methylbenzene-1,4-diamine;carbanide
CID 161114230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine (CID 54861120) is 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine is Cc1cc(NCCN2CCN(C)CC2)ccc1N.
What is the InChIKey of 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine?
The InChIKey is GUXDQVFKRCGSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-11-13(3-4-14(12)15)16-5-6-18-9-7-17(2)8-10-18/h3-4,11,16H,5-10,15H2,1-2H3.
What are the key properties of 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine?
2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 54861120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).