ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C17H29N3 — CID 143242088

IUPACethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESC=CNc1cccc(CCN2CCN(C)CC2)c1.CC
InChIInChI=1S/C15H23N3.C2H6/c1-3-16-15-6-4-5-14(13-15)7-8-18-11-9-17(2)10-12-18;1-2/h3-6,13,16H,1,7-12H2,2H3;1-2H3
InChIKeyHAZAHKKOVRZWGF-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.06
Rot. Bonds5

About ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline

ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 143242088) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Nameethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID143242088
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Nameethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESC=CNc1cccc(CCN2CCN(C)CC2)c1.CC
InChIInChI=1S/C15H23N3.C2H6/c1-3-16-15-6-4-5-14(13-15)7-8-18-11-9-17(2)10-12-18;1-2/h3-6,13,16H,1,7-12H2,2H3;1-2H3
InChIKeyHAZAHKKOVRZWGF-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 143242088) is ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline is C=CNc1cccc(CCN2CCN(C)CC2)c1.CC.
What is the InChIKey of ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is HAZAHKKOVRZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.C2H6/c1-3-16-15-6-4-5-14(13-15)7-8-18-11-9-17(2)10-12-18;1-2/h3-6,13,16H,1,7-12H2,2H3;1-2H3.
What are the key properties of ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 143242088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).