N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide

C8H14N2 — CID 129253260

IUPACN'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
SMILESC=C/C=C(\C)N/C=N/CC
InChIInChI=1S/C8H14N2/c1-4-6-8(3)10-7-9-5-2/h4,6-7H,1,5H2,2-3H3,(H,9,10)/b8-6+
InChIKeyZWOSWWCNCJVURW-SOFGYWHQSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds4

About N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide

N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide (PubChem CID 129253260) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
PubChem CID129253260
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
SMILESC=C/C=C(\C)N/C=N/CC
InChIInChI=1S/C8H14N2/c1-4-6-8(3)10-7-9-5-2/h4,6-7H,1,5H2,2-3H3,(H,9,10)/b8-6+
InChIKeyZWOSWWCNCJVURW-SOFGYWHQSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide (CID 129253260) is N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide is C=C/C=C(\C)N/C=N/CC.
What is the InChIKey of N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide?
The InChIKey is ZWOSWWCNCJVURW-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-8(3)10-7-9-5-2/h4,6-7H,1,5H2,2-3H3,(H,9,10)/b8-6+.
What are the key properties of N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide?
N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 129253260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).