2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine

C9H19N3 — CID 90883137

IUPAC2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine
SMILESC/N=C/CN1CCN(C)CC1C
InChIInChI=1S/C9H19N3/c1-9-8-11(3)6-7-12(9)5-4-10-2/h4,9H,5-8H2,1-3H3/b10-4+
InChIKeyMIHCZRXGFLZWBO-ONNFQVAWSA-N
MW169.27 g/mol
LogP0.32
Rot. Bonds2

About 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine

2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine (PubChem CID 90883137) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine
PubChem CID90883137
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine
SMILESC/N=C/CN1CCN(C)CC1C
InChIInChI=1S/C9H19N3/c1-9-8-11(3)6-7-12(9)5-4-10-2/h4,9H,5-8H2,1-3H3/b10-4+
InChIKeyMIHCZRXGFLZWBO-ONNFQVAWSA-N
XLogP0.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine (CID 90883137) is 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine is C/N=C/CN1CCN(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine?
The InChIKey is MIHCZRXGFLZWBO-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H19N3/c1-9-8-11(3)6-7-12(9)5-4-10-2/h4,9H,5-8H2,1-3H3/b10-4+.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine?
2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine has a molecular weight of 169.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine is sourced from PubChem (CID 90883137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).