ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane

C15H33N3 — CID 169104195

IUPACethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane
SMILESC=C/C=N/C=C.CC.CCC.CN1CCNCC1
InChIInChI=1S/C5H12N2.C5H7N.C3H8.C2H6/c1-7-4-2-6-3-5-7;1-3-5-6-4-2;1-3-2;1-2/h6H,2-5H2,1H3;3-5H,1-2H2;3H2,1-2H3;1-2H3/b;6-5+;;
InChIKeyIISFNCXVGPTOFU-BWVIBOQJSA-N
MW255.45 g/mol
LogP3.35
Rot. Bonds2

About ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane

ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane (PubChem CID 169104195) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane.

Molecular Properties

Compound Nameethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane
PubChem CID169104195
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane
SMILESC=C/C=N/C=C.CC.CCC.CN1CCNCC1
InChIInChI=1S/C5H12N2.C5H7N.C3H8.C2H6/c1-7-4-2-6-3-5-7;1-3-5-6-4-2;1-3-2;1-2/h6H,2-5H2,1H3;3-5H,1-2H2;3H2,1-2H3;1-2H3/b;6-5+;;
InChIKeyIISFNCXVGPTOFU-BWVIBOQJSA-N
XLogP3.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane 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 ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane?
The IUPAC name of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane (CID 169104195) is ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane.
What is the SMILES notation for ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane?
The canonical SMILES for ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane is C=C/C=N/C=C.CC.CCC.CN1CCNCC1.
What is the InChIKey of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane?
The InChIKey is IISFNCXVGPTOFU-BWVIBOQJSA-N. The full InChI is InChI=1S/C5H12N2.C5H7N.C3H8.C2H6/c1-7-4-2-6-3-5-7;1-3-5-6-4-2;1-3-2;1-2/h6H,2-5H2,1H3;3-5H,1-2H2;3H2,1-2H3;1-2H3/b;6-5+;;.
What are the key properties of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane?
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane has a molecular weight of 255.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane is sourced from PubChem (CID 169104195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).