N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide

C10H18N2 — CID 134376358

IUPACN'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide
SMILESC/C=C/C=C(/C)N/C(C)=N/CC
InChIInChI=1S/C10H18N2/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,6H2,1-4H3,(H,11,12)/b7-5+,9-8-
InChIKeyLFJUYLYOTRFKQX-WGKMIZOUSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds3

About N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide

N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide (PubChem CID 134376358) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide
PubChem CID134376358
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide
SMILESC/C=C/C=C(/C)N/C(C)=N/CC
InChIInChI=1S/C10H18N2/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,6H2,1-4H3,(H,11,12)/b7-5+,9-8-
InChIKeyLFJUYLYOTRFKQX-WGKMIZOUSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.49
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-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide (CID 134376358) is N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide is C/C=C/C=C(/C)N/C(C)=N/CC.
What is the InChIKey of N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide?
The InChIKey is LFJUYLYOTRFKQX-WGKMIZOUSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,6H2,1-4H3,(H,11,12)/b7-5+,9-8-.
What are the key properties of N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide?
N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 134376358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).