N-(4-methylpiperazin-1-yl)propan-2-imine

C8H17N3 — CID 59833613

IUPACN-(4-methylpiperazin-1-yl)propan-2-imine
SMILESCC(C)=NN1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-8(2)9-11-6-4-10(3)5-7-11/h4-7H2,1-3H3
InChIKeyYHOFORRLWKVIPX-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.63
Rot. Bonds1

About N-(4-methylpiperazin-1-yl)propan-2-imine

N-(4-methylpiperazin-1-yl)propan-2-imine (PubChem CID 59833613) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)propan-2-imine
PubChem CID59833613
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN-(4-methylpiperazin-1-yl)propan-2-imine
SMILESCC(C)=NN1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-8(2)9-11-6-4-10(3)5-7-11/h4-7H2,1-3H3
InChIKeyYHOFORRLWKVIPX-UHFFFAOYSA-N
XLogP0.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylpiperazin-1-yl)propan-2-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 N-(4-methylpiperazin-1-yl)propan-2-imine?
The IUPAC name of N-(4-methylpiperazin-1-yl)propan-2-imine (CID 59833613) is N-(4-methylpiperazin-1-yl)propan-2-imine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)propan-2-imine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)propan-2-imine is CC(C)=NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)propan-2-imine?
The InChIKey is YHOFORRLWKVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2)9-11-6-4-10(3)5-7-11/h4-7H2,1-3H3.
What are the key properties of N-(4-methylpiperazin-1-yl)propan-2-imine?
N-(4-methylpiperazin-1-yl)propan-2-imine has a molecular weight of 155.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)propan-2-imine is sourced from PubChem (CID 59833613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).