(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine

C11H21N3 — CID 123714224

IUPAC(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)N1CCN(C)CC1)CC
InChIInChI=1S/C11H21N3/c1-4-11(12)9-10(2)14-7-5-13(3)6-8-14/h9,12H,4-8H2,1-3H3/b10-9+,12-11+
InChIKeyOVKAYINLAAEKNX-HULFFUFUSA-N
MW195.31 g/mol
LogP1.57
Rot. Bonds3

About (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine

(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine (PubChem CID 123714224) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
PubChem CID123714224
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)N1CCN(C)CC1)CC
InChIInChI=1S/C11H21N3/c1-4-11(12)9-10(2)14-7-5-13(3)6-8-14/h9,12H,4-8H2,1-3H3/b10-9+,12-11+
InChIKeyOVKAYINLAAEKNX-HULFFUFUSA-N
XLogP1.57
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Imino-3-(4-methylpiperazin-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 123179101
N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 123367064
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
CID 123704792
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
CID 123708264
(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 123790750
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
CID 123947681
5-[1-(4-methylpiperazin-1-yl)ethenyl]-2H-pyrrol-3-amine
CID 129029104
(3E,5Z)-4-(4-methylpiperazin-1-yl)hepta-3,5-dien-2-imine
CID 141805902
(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 155471317
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)pent-1-en-2-amine
CID 156637551
(E)-2-(4-methylpiperazin-1-yl)pent-2-en-1-imine
CID 162762932

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine?
The IUPAC name of (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine (CID 123714224) is (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine.
What is the SMILES notation for (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine?
The canonical SMILES for (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine is [H]/N=C(/C=C(\C)N1CCN(C)CC1)CC.
What is the InChIKey of (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine?
The InChIKey is OVKAYINLAAEKNX-HULFFUFUSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(12)9-10(2)14-7-5-13(3)6-8-14/h9,12H,4-8H2,1-3H3/b10-9+,12-11+.
What are the key properties of (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine?
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine has a molecular weight of 195.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine is sourced from PubChem (CID 123714224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).