(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine

C10H19N3 — CID 143210270

IUPAC(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine
SMILESC/N=C/C=C(\C)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-10(4-5-11-2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b10-4+,11-5+
InChIKeyRMOFRVPXODXBNQ-ZVSIBQGLSA-N
MW181.28 g/mol
LogP0.84
Rot. Bonds2

About (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine

(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine (PubChem CID 143210270) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine
PubChem CID143210270
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine
SMILESC/N=C/C=C(\C)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-10(4-5-11-2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b10-4+,11-5+
InChIKeyRMOFRVPXODXBNQ-ZVSIBQGLSA-N
XLogP0.84
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.84
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

[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
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
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine
CID 123608772
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
(Z)-4-imino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-2-amine
CID 129298779
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060
N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylprop-2-en-1-imine
CID 134406734
N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine
CID 142143988

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The IUPAC name of (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine (CID 143210270) is (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine is C/N=C/C=C(\C)N1CCN(C)CC1.
What is the InChIKey of (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The InChIKey is RMOFRVPXODXBNQ-ZVSIBQGLSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(4-5-11-2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b10-4+,11-5+.
What are the key properties of (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine?
(E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(4-methylpiperazin-1-yl)but-2-en-1-imine is sourced from PubChem (CID 143210270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).