4-(2-methoxyethyl)-3-methylpiperazin-1-amine

C8H19N3O — CID 135137829

IUPAC4-(2-methoxyethyl)-3-methylpiperazin-1-amine
SMILESCOCCN1CCN(N)CC1C
InChIInChI=1S/C8H19N3O/c1-8-7-11(9)4-3-10(8)5-6-12-2/h8H,3-7,9H2,1-2H3
InChIKeyVFQICNZBLNGHQX-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.49
Rot. Bonds3

About 4-(2-methoxyethyl)-3-methylpiperazin-1-amine

4-(2-methoxyethyl)-3-methylpiperazin-1-amine (PubChem CID 135137829) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-methylpiperazin-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-methylpiperazin-1-amine
PubChem CID135137829
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-(2-methoxyethyl)-3-methylpiperazin-1-amine
SMILESCOCCN1CCN(N)CC1C
InChIInChI=1S/C8H19N3O/c1-8-7-11(9)4-3-10(8)5-6-12-2/h8H,3-7,9H2,1-2H3
InChIKeyVFQICNZBLNGHQX-UHFFFAOYSA-N
XLogP-0.49
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-methylpiperazin-1-amine?
The IUPAC name of 4-(2-methoxyethyl)-3-methylpiperazin-1-amine (CID 135137829) is 4-(2-methoxyethyl)-3-methylpiperazin-1-amine.
What is the SMILES notation for 4-(2-methoxyethyl)-3-methylpiperazin-1-amine?
The canonical SMILES for 4-(2-methoxyethyl)-3-methylpiperazin-1-amine is COCCN1CCN(N)CC1C.
What is the InChIKey of 4-(2-methoxyethyl)-3-methylpiperazin-1-amine?
The InChIKey is VFQICNZBLNGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-8-7-11(9)4-3-10(8)5-6-12-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-3-methylpiperazin-1-amine?
4-(2-methoxyethyl)-3-methylpiperazin-1-amine has a molecular weight of 173.26 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-methylpiperazin-1-amine is sourced from PubChem (CID 135137829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).