2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine

C9H20N4 — CID 79088385

IUPAC2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILES[H]/N=C(\CN(C)C)N1CCN(C)CC1
InChIInChI=1S/C9H20N4/c1-11(2)8-9(10)13-6-4-12(3)5-7-13/h10H,4-8H2,1-3H3/b10-9+
InChIKeyFOZJVBSGXYIUFM-MDZDMXLPSA-N
MW184.29 g/mol
LogP-0.23
Rot. Bonds2

About 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine

2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 79088385) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID79088385
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILES[H]/N=C(\CN(C)C)N1CCN(C)CC1
InChIInChI=1S/C9H20N4/c1-11(2)8-9(10)13-6-4-12(3)5-7-13/h10H,4-8H2,1-3H3/b10-9+
InChIKeyFOZJVBSGXYIUFM-MDZDMXLPSA-N
XLogP-0.23
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 79088385) is 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine is [H]/N=C(\CN(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is FOZJVBSGXYIUFM-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N4/c1-11(2)8-9(10)13-6-4-12(3)5-7-13/h10H,4-8H2,1-3H3/b10-9+.
What are the key properties of 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine?
2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 184.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 79088385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).