N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide

C10H18N4 — CID 89336887

IUPACN'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide
SMILESC=C/C=C\N=C(/N)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-3-4-5-12-10(11)14-8-6-13(2)7-9-14/h3-5H,1,6-9H2,2H3,(H2,11,12)/b5-4-
InChIKeySTPPHMNBJXTFNA-PLNGDYQASA-N
MW194.28 g/mol
LogP0.25
Rot. Bonds2

About N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide

N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide (PubChem CID 89336887) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide
PubChem CID89336887
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide
SMILESC=C/C=C\N=C(/N)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-3-4-5-12-10(11)14-8-6-13(2)7-9-14/h3-5H,1,6-9H2,2H3,(H2,11,12)/b5-4-
InChIKeySTPPHMNBJXTFNA-PLNGDYQASA-N
XLogP0.25
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.25
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 N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide (CID 89336887) is N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide is C=C/C=C\N=C(/N)N1CCN(C)CC1.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide?
The InChIKey is STPPHMNBJXTFNA-PLNGDYQASA-N. The full InChI is InChI=1S/C10H18N4/c1-3-4-5-12-10(11)14-8-6-13(2)7-9-14/h3-5H,1,6-9H2,2H3,(H2,11,12)/b5-4-.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide?
N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide has a molecular weight of 194.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 89336887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).