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

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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).