2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine

C13H24N4 — CID 145198212

IUPAC2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine
SMILESC=C(/C=N/C(=C)C)CN1CCN(CCN)CC1
InChIInChI=1S/C13H24N4/c1-12(2)15-10-13(3)11-17-8-6-16(5-4-14)7-9-17/h10H,1,3-9,11,14H2,2H3/b15-10+
InChIKeyGZVZBSVOISLHEJ-XNTDXEJSSA-N
MW236.36 g/mol
LogP0.72
Rot. Bonds6

About 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine

2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine (PubChem CID 145198212) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine
PubChem CID145198212
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine
SMILESC=C(/C=N/C(=C)C)CN1CCN(CCN)CC1
InChIInChI=1S/C13H24N4/c1-12(2)15-10-13(3)11-17-8-6-16(5-4-14)7-9-17/h10H,1,3-9,11,14H2,2H3/b15-10+
InChIKeyGZVZBSVOISLHEJ-XNTDXEJSSA-N
XLogP0.72
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[4-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]piperazin-1-yl]sulfanylmethanamine
CID 134406069
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
N-ethyl-N'-methyl-N'-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]ethane-1,2-diamine
CID 134406419
2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 134406723
3-[3-(4-Ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine
CID 142409574
ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine
CID 145197611
ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197690
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197719
ethane;2-[(4-ethylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197763
N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane
CID 145197924
(Z)-N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)but-2-en-1-imine;ethane
CID 145197956

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine (CID 145198212) is 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine is C=C(/C=N/C(=C)C)CN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine?
The InChIKey is GZVZBSVOISLHEJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2)15-10-13(3)11-17-8-6-16(5-4-14)7-9-17/h10H,1,3-9,11,14H2,2H3/b15-10+.
What are the key properties of 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine?
2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 145198212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).