4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide

C11H20N4 — CID 89170048

IUPAC4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide
SMILESC=C/C=C(C)\N=C(/N)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-4-5-10(2)13-11(12)15-8-6-14(3)7-9-15/h4-5H,1,6-9H2,2-3H3,(H2,12,13)/b10-5-
InChIKeyMVBMRGIPONADIQ-YHYXMXQVSA-N
MW208.31 g/mol
LogP0.64
Rot. Bonds2

About 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide

4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide (PubChem CID 89170048) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide
PubChem CID89170048
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide
SMILESC=C/C=C(C)\N=C(/N)N1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-4-5-10(2)13-11(12)15-8-6-14(3)7-9-15/h4-5H,1,6-9H2,2-3H3,(H2,12,13)/b10-5-
InChIKeyMVBMRGIPONADIQ-YHYXMXQVSA-N
XLogP0.64
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide (CID 89170048) is 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide is C=C/C=C(C)\N=C(/N)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide?
The InChIKey is MVBMRGIPONADIQ-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-5-10(2)13-11(12)15-8-6-14(3)7-9-15/h4-5H,1,6-9H2,2-3H3,(H2,12,13)/b10-5-.
What are the key properties of 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide?
4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide has a molecular weight of 208.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide is sourced from PubChem (CID 89170048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).