N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline

C17H30N4 — CID 62889245

IUPACN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
SMILESCc1cccc(NCCN2CCN(CCN(C)C)CC2)c1
InChIInChI=1S/C17H30N4/c1-16-5-4-6-17(15-16)18-7-8-20-11-13-21(14-12-20)10-9-19(2)3/h4-6,15,18H,7-14H2,1-3H3
InChIKeyUDMMGUVVCUNUBX-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.59
Rot. Bonds7

About N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline

N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline (PubChem CID 62889245) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
PubChem CID62889245
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
SMILESCc1cccc(NCCN2CCN(CCN(C)C)CC2)c1
InChIInChI=1S/C17H30N4/c1-16-5-4-6-17(15-16)18-7-8-20-11-13-21(14-12-20)10-9-19(2)3/h4-6,15,18H,7-14H2,1-3H3
InChIKeyUDMMGUVVCUNUBX-UHFFFAOYSA-N
XLogP1.59
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline 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 N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline (CID 62889245) is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline is Cc1cccc(NCCN2CCN(CCN(C)C)CC2)c1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline?
The InChIKey is UDMMGUVVCUNUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-16-5-4-6-17(15-16)18-7-8-20-11-13-21(14-12-20)10-9-19(2)3/h4-6,15,18H,7-14H2,1-3H3.
What are the key properties of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline?
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline has a molecular weight of 290.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline is sourced from PubChem (CID 62889245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).