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

C11H23N3 — CID 91502102

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine
SMILESCC(C)=NC(C)CN1CCN(C)CC1
InChIInChI=1S/C11H23N3/c1-10(2)12-11(3)9-14-7-5-13(4)6-8-14/h11H,5-9H2,1-4H3
InChIKeyGAPUOVIRUQNCDY-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.10
Rot. Bonds3

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

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine (PubChem CID 91502102) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine
PubChem CID91502102
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine
SMILESCC(C)=NC(C)CN1CCN(C)CC1
InChIInChI=1S/C11H23N3/c1-10(2)12-11(3)9-14-7-5-13(4)6-8-14/h11H,5-9H2,1-4H3
InChIKeyGAPUOVIRUQNCDY-UHFFFAOYSA-N
XLogP1.10
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-methylpiperazin-1-yl)propan-2-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-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine (CID 91502102) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine is CC(C)=NC(C)CN1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine?
The InChIKey is GAPUOVIRUQNCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(2)12-11(3)9-14-7-5-13(4)6-8-14/h11H,5-9H2,1-4H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine has a molecular weight of 197.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine is sourced from PubChem (CID 91502102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).