1-(4-methylpiperazin-1-yl)butan-1-imine

C9H19N3 — CID 63178580

IUPAC1-(4-methylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-3-4-9(10)12-7-5-11(2)6-8-12/h10H,3-8H2,1-2H3/b10-9+
InChIKeyOHUAANNZBDTICC-MDZDMXLPSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)butan-1-imine

1-(4-methylpiperazin-1-yl)butan-1-imine (PubChem CID 63178580) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)butan-1-imine
PubChem CID63178580
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(4-methylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-3-4-9(10)12-7-5-11(2)6-8-12/h10H,3-8H2,1-2H3/b10-9+
InChIKeyOHUAANNZBDTICC-MDZDMXLPSA-N
XLogP1.01
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze 1-(4-methylpiperazin-1-yl)butan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)butan-1-imine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)butan-1-imine (CID 63178580) is 1-(4-methylpiperazin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)butan-1-imine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)butan-1-imine?
The InChIKey is OHUAANNZBDTICC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-4-9(10)12-7-5-11(2)6-8-12/h10H,3-8H2,1-2H3/b10-9+.
What are the key properties of 1-(4-methylpiperazin-1-yl)butan-1-imine?
1-(4-methylpiperazin-1-yl)butan-1-imine has a molecular weight of 169.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)butan-1-imine is sourced from PubChem (CID 63178580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).