(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine

C10H20N4 — CID 144622152

IUPAC(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
SMILESC/N=C(\C=C(/C)N)N1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-9(11)8-10(12-2)14-6-4-13(3)5-7-14/h8H,4-7,11H2,1-3H3/b9-8+,12-10+
InChIKeyXAYFMCVAKVWVNE-CDKJVOIVSA-N
MW196.30 g/mol
LogP0.12
Rot. Bonds1

About (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine

(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine (PubChem CID 144622152) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
PubChem CID144622152
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
SMILESC/N=C(\C=C(/C)N)N1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-9(11)8-10(12-2)14-6-4-13(3)5-7-14/h8H,4-7,11H2,1-3H3/b9-8+,12-10+
InChIKeyXAYFMCVAKVWVNE-CDKJVOIVSA-N
XLogP0.12
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol
CID 2322592
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(E)-4-imino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 68400036
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
2-amino-N-[2-(dimethylamino)ethyl]-N,N'-diethyl-4-iminobut-2-enimidamide
CID 124003006
N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
CID 126706479
N,N-dimethyl-1-(6-methyl-1,4-dihydropyrimidin-2-yl)methanamine
CID 142082996
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693
2-[4-[(E)-C-ethenyl-N-(1-fluoroethenyl)carbonimidoyl]piperazin-1-yl]ethanamine;methane
CID 144288884

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The IUPAC name of (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine (CID 144622152) is (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine.
What is the SMILES notation for (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The canonical SMILES for (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine is C/N=C(\C=C(/C)N)N1CCN(C)CC1.
What is the InChIKey of (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The InChIKey is XAYFMCVAKVWVNE-CDKJVOIVSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(11)8-10(12-2)14-6-4-13(3)5-7-14/h8H,4-7,11H2,1-3H3/b9-8+,12-10+.
What are the key properties of (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine has a molecular weight of 196.30 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine is sourced from PubChem (CID 144622152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).