1-(3,4,5-trimethylpiperazin-1-yl)ethanimine

C9H19N3 — CID 114541310

IUPAC1-(3,4,5-trimethylpiperazin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C9H19N3/c1-7-5-12(9(3)10)6-8(2)11(7)4/h7-8,10H,5-6H2,1-4H3/b10-9+
InChIKeyOCUCQWNRMNYKMK-MDZDMXLPSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds

About 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine

1-(3,4,5-trimethylpiperazin-1-yl)ethanimine (PubChem CID 114541310) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3,4,5-trimethylpiperazin-1-yl)ethanimine
PubChem CID114541310
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(3,4,5-trimethylpiperazin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C9H19N3/c1-7-5-12(9(3)10)6-8(2)11(7)4/h7-8,10H,5-6H2,1-4H3/b10-9+
InChIKeyOCUCQWNRMNYKMK-MDZDMXLPSA-N
XLogP1.01
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylpiperazine-1,4-dicarboximidoyl cyanide
CID 300615
N,N-diisopropylethanimidamide
CID 89605876
2,2,2-Trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanimine
CID 132011537
Piperazine, 1-(1-iminoethyl)-4-methyl-
CID 12283354
Piperazine, 1-ethyl-4-(1-iminoethyl)-
CID 12283356
Piperazine, 1-(1-iminopropyl)-4-methyl-
CID 12283364
1-(4-Methylpiperazin-1-yl)pentan-1-imine
CID 12283374
2,4,6-Trimethylpiperazine-1-carboximidamide
CID 20641639
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 57640390
1-(4-Propan-2-ylpiperazin-1-yl)ethanimine
CID 58326908
1-ethanimidoyl-N,N-dimethylpiperidin-4-amine
CID 59020704
N-methyl-N-(1-methylpiperidin-4-yl)ethanimidamide
CID 59020786

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine?
The IUPAC name of 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine (CID 114541310) is 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine.
What is the SMILES notation for 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine?
The canonical SMILES for 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine is [H]/N=C(\C)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine?
The InChIKey is OCUCQWNRMNYKMK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3/c1-7-5-12(9(3)10)6-8(2)11(7)4/h7-8,10H,5-6H2,1-4H3/b10-9+.
What are the key properties of 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine?
1-(3,4,5-trimethylpiperazin-1-yl)ethanimine has a molecular weight of 169.27 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 114541310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).