2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide

C13H24N4 — CID 142912091

IUPAC2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(/C(C)=C/C=C\CC)CC1
InChIInChI=1S/C13H24N4/c1-3-4-5-6-12(2)17-9-7-16(8-10-17)11-13(14)15/h4-6H,3,7-11H2,1-2H3,(H3,14,15)/b5-4-,12-6+
InChIKeyKNRFRWRERAZWRG-QENXGIAESA-N
MW236.36 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide

2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide (PubChem CID 142912091) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide
PubChem CID142912091
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(/C(C)=C/C=C\CC)CC1
InChIInChI=1S/C13H24N4/c1-3-4-5-6-12(2)17-9-7-16(8-10-17)11-13(14)15/h4-6H,3,7-11H2,1-2H3,(H3,14,15)/b5-4-,12-6+
InChIKeyKNRFRWRERAZWRG-QENXGIAESA-N
XLogP1.41
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.41
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'}

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Related Compounds

6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide
CID 162375704
[1-Amino-2-[4-(diisocyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethylidene]azanium
CID 137061460
ethane;2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide;hydrate
CID 142912090
(2Z)-2-(3,4-dimethylpiperazin-2-ylidene)ethanimidamide
CID 145573552
2-[4-(Diisocyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethanimidamide
CID 123974787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide (CID 142912091) is 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(/C(C)=C/C=C\CC)CC1.
What is the InChIKey of 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide?
The InChIKey is KNRFRWRERAZWRG-QENXGIAESA-N. The full InChI is InChI=1S/C13H24N4/c1-3-4-5-6-12(2)17-9-7-16(8-10-17)11-13(14)15/h4-6H,3,7-11H2,1-2H3,(H3,14,15)/b5-4-,12-6+.
What are the key properties of 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide?
2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide has a molecular weight of 236.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 142912091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).