N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide

C15H28N4 — CID 139305674

IUPACN'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide
SMILESC=CCN/C=N/C/C=C/CCCN1CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-3-8-16-15-17-9-6-4-5-7-10-19-13-11-18(2)12-14-19/h3-4,6,15H,1,5,7-14H2,2H3,(H,16,17)/b6-4+
InChIKeyZOAZJBOZGQISAZ-GQCTYLIASA-N
MW264.42 g/mol
LogP1.37
Rot. Bonds9

About N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide

N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide (PubChem CID 139305674) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide
PubChem CID139305674
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide
SMILESC=CCN/C=N/C/C=C/CCCN1CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-3-8-16-15-17-9-6-4-5-7-10-19-13-11-18(2)12-14-19/h3-4,6,15H,1,5,7-14H2,2H3,(H,16,17)/b6-4+
InChIKeyZOAZJBOZGQISAZ-GQCTYLIASA-N
XLogP1.37
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide?
The IUPAC name of N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide (CID 139305674) is N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide.
What is the SMILES notation for N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide?
The canonical SMILES for N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide is C=CCN/C=N/C/C=C/CCCN1CCN(C)CC1.
What is the InChIKey of N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide?
The InChIKey is ZOAZJBOZGQISAZ-GQCTYLIASA-N. The full InChI is InChI=1S/C15H28N4/c1-3-8-16-15-17-9-6-4-5-7-10-19-13-11-18(2)12-14-19/h3-4,6,15H,1,5,7-14H2,2H3,(H,16,17)/b6-4+.
What are the key properties of N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide?
N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide has a molecular weight of 264.42 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-6-(4-methylpiperazin-1-yl)hex-2-enyl]-N-prop-2-enylmethanimidamide is sourced from PubChem (CID 139305674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).