2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

C12H21N3 — CID 145198329

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15/h9H,1,3,5-8,10H2,2,4H3/b13-9+
InChIKeyNNJDHTUGSOQXTJ-UKTHLTGXSA-N
MW207.32 g/mol
LogP1.39
Rot. Bonds4

About 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 145198329) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID145198329
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15/h9H,1,3,5-8,10H2,2,4H3/b13-9+
InChIKeyNNJDHTUGSOQXTJ-UKTHLTGXSA-N
XLogP1.39
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
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
ethane;2-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198170
2-[4-[2-(Prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine
CID 145198212
ethane;2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198328

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (CID 145198329) is 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCN(C)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is NNJDHTUGSOQXTJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15/h9H,1,3,5-8,10H2,2,4H3/b13-9+.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145198329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).