(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine

C12H21N3 — CID 156740761

IUPAC(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C\C(C)=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-5-11(2)10-13-12(3)15-8-6-14(4)7-9-15/h5,10H,3,6-9H2,1-2,4H3/b11-5-,13-10-
InChIKeyXLLFFGUREUCYQM-PDKNDLSCSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds3

About (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine

(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine (PubChem CID 156740761) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
PubChem CID156740761
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C\C(C)=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-5-11(2)10-13-12(3)15-8-6-14(4)7-9-15/h5,10H,3,6-9H2,1-2,4H3/b11-5-,13-10-
InChIKeyXLLFFGUREUCYQM-PDKNDLSCSA-N
XLogP1.74
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
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-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine;propane
CID 141979646
N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
CID 142264893
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958190
N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]-N-propan-2-ylethane-1,2-diamine
CID 144309799
ethane;N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461266
(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
CID 156819648
2-methyl-N-[(Z)-1-(4-methylpiperazin-1-yl)prop-1-enyl]prop-2-en-1-imine
CID 163966216
(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(2-methylprop-2-enylideneamino)prop-1-en-1-amine
CID 173619780
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 141979647

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
The IUPAC name of (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine (CID 156740761) is (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine is C=C(/N=C\C(C)=C/C)N1CCN(C)CC1.
What is the InChIKey of (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
The InChIKey is XLLFFGUREUCYQM-PDKNDLSCSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11(2)10-13-12(3)15-8-6-14(4)7-9-15/h5,10H,3,6-9H2,1-2,4H3/b11-5-,13-10-.
What are the key properties of (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine is sourced from PubChem (CID 156740761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).