2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine

C12H28N4 — CID 67634504

IUPAC2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CC(C)N(CCNC)C(C)C1
InChIInChI=1S/C12H28N4/c1-11-9-15(7-5-13-3)10-12(2)16(11)8-6-14-4/h11-14H,5-10H2,1-4H3
InChIKeyGJZREXLZFIYOTM-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.18
Rot. Bonds6

About 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine

2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine (PubChem CID 67634504) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine
PubChem CID67634504
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CC(C)N(CCNC)C(C)C1
InChIInChI=1S/C12H28N4/c1-11-9-15(7-5-13-3)10-12(2)16(11)8-6-14-4/h11-14H,5-10H2,1-4H3
InChIKeyGJZREXLZFIYOTM-UHFFFAOYSA-N
XLogP-0.18
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine
CID 84766334
2-(3-azabicyclo[3.2.1]octan-3-yl)-N-methylethanamine
CID 83980400
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
3-(2,6-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 61386862
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093
methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071451
1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine
CID 123267329
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 114540325
N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539596
N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide
CID 97252247
N-methyl-2-piperazin-4-ium-1-ylethanamine
CID 18962734

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine (CID 67634504) is 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine is CNCCN1CC(C)N(CCNC)C(C)C1.
What is the InChIKey of 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
The InChIKey is GJZREXLZFIYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-11-9-15(7-5-13-3)10-12(2)16(11)8-6-14-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine has a molecular weight of 228.38 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 67634504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).