(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide

C15H26N6 — CID 123903463

IUPAC(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide
SMILES[H]/N=C(/C/C(N)=N/C(/C=C/C=CC)=N/C)N1CCN(C)CC1
InChIInChI=1S/C15H26N6/c1-4-5-6-7-15(18-2)19-13(16)12-14(17)21-10-8-20(3)9-11-21/h4-7,17H,8-12H2,1-3H3,(H2,16,18,19)/b5-4?,7-6+,17-14-
InChIKeyIYYUKHDGHXEEQZ-UIZUNLLISA-N
MW290.41 g/mol
LogP1.12
Rot. Bonds4

About (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide

(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide (PubChem CID 123903463) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide
PubChem CID123903463
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide
SMILES[H]/N=C(/C/C(N)=N/C(/C=C/C=CC)=N/C)N1CCN(C)CC1
InChIInChI=1S/C15H26N6/c1-4-5-6-7-15(18-2)19-13(16)12-14(17)21-10-8-20(3)9-11-21/h4-7,17H,8-12H2,1-3H3,(H2,16,18,19)/b5-4?,7-6+,17-14-
InChIKeyIYYUKHDGHXEEQZ-UIZUNLLISA-N
XLogP1.12
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide with MolForge

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Related Compounds

5-Fluoro-1-[3-(4-methylpiperazin-1-yl)propanimidoyl]pyridin-2-imine
CID 145588449
(E)-N-[1-amino-3-(3,5-dimethylpiperazin-1-yl)-3-iminopropylidene]-N'-methylbut-2-enimidamide
CID 123214432
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
CID 156866753
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide
CID 156866754

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide?
The IUPAC name of (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide (CID 123903463) is (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide.
What is the SMILES notation for (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide?
The canonical SMILES for (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide is [H]/N=C(/C/C(N)=N/C(/C=C/C=CC)=N/C)N1CCN(C)CC1.
What is the InChIKey of (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide?
The InChIKey is IYYUKHDGHXEEQZ-UIZUNLLISA-N. The full InChI is InChI=1S/C15H26N6/c1-4-5-6-7-15(18-2)19-13(16)12-14(17)21-10-8-20(3)9-11-21/h4-7,17H,8-12H2,1-3H3,(H2,16,18,19)/b5-4?,7-6+,17-14-.
What are the key properties of (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide?
(2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide has a molecular weight of 290.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)propylidene]-N'-methylhexa-2,4-dienimidamide is sourced from PubChem (CID 123903463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).