1-methanimidoyl-3,4-dimethylpiperazin-2-imine

C7H14N4 — CID 143839553

IUPAC1-methanimidoyl-3,4-dimethylpiperazin-2-imine
SMILES[H]/N=C/N1CCN(C)C(C)/C1=N\[H]
InChIInChI=1S/C7H14N4/c1-6-7(9)11(5-8)4-3-10(6)2/h5-6,8-9H,3-4H2,1-2H3/b8-5+,9-7+
InChIKeyNLSDRQZLSQXDEF-OCIXRKKMSA-N
MW154.22 g/mol
LogP0.21
Rot. Bonds1

About 1-methanimidoyl-3,4-dimethylpiperazin-2-imine

1-methanimidoyl-3,4-dimethylpiperazin-2-imine (PubChem CID 143839553) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-methanimidoyl-3,4-dimethylpiperazin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-3,4-dimethylpiperazin-2-imine
PubChem CID143839553
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-methanimidoyl-3,4-dimethylpiperazin-2-imine
SMILES[H]/N=C/N1CCN(C)C(C)/C1=N\[H]
InChIInChI=1S/C7H14N4/c1-6-7(9)11(5-8)4-3-10(6)2/h5-6,8-9H,3-4H2,1-2H3/b8-5+,9-7+
InChIKeyNLSDRQZLSQXDEF-OCIXRKKMSA-N
XLogP0.21
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
1-(2-Fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine
CID 144563745
Piperazine, 1-(1-iminopropyl)-4-methyl-
CID 12283364
1-(4-Propan-2-ylpiperazin-1-yl)ethanimine
CID 58326908
1,4-Dimethylpiperazine-2,6-diimine
CID 68025068
1-(3,4,5-Trimethylpiperazin-1-yl)ethanimine
CID 114541310
4-Cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine
CID 123335578
1-Methanimidoyl-4-methylpiperazin-2-imine
CID 123496488
6-Imino-1,5-dimethyl-2,5-dihydropyrazin-3-amine
CID 123591161
2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide
CID 138533355
N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine
CID 140717578
1-[(2S)-2-methylpiperazin-1-yl]ethanimine
CID 142640279

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-3,4-dimethylpiperazin-2-imine?
The IUPAC name of 1-methanimidoyl-3,4-dimethylpiperazin-2-imine (CID 143839553) is 1-methanimidoyl-3,4-dimethylpiperazin-2-imine.
What is the SMILES notation for 1-methanimidoyl-3,4-dimethylpiperazin-2-imine?
The canonical SMILES for 1-methanimidoyl-3,4-dimethylpiperazin-2-imine is [H]/N=C/N1CCN(C)C(C)/C1=N\[H].
What is the InChIKey of 1-methanimidoyl-3,4-dimethylpiperazin-2-imine?
The InChIKey is NLSDRQZLSQXDEF-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H14N4/c1-6-7(9)11(5-8)4-3-10(6)2/h5-6,8-9H,3-4H2,1-2H3/b8-5+,9-7+.
What are the key properties of 1-methanimidoyl-3,4-dimethylpiperazin-2-imine?
1-methanimidoyl-3,4-dimethylpiperazin-2-imine has a molecular weight of 154.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-3,4-dimethylpiperazin-2-imine is sourced from PubChem (CID 143839553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).