N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide

C10H16N2 — CID 121279957

IUPACN'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
SMILESC=C/C=C\C(=C)N/C(C)=N/CC
InChIInChI=1S/C10H16N2/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3,(H,11,12)/b8-7-
InChIKeyGDABHRIBTKSASI-FPLPWBNLSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide

N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide (PubChem CID 121279957) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
PubChem CID121279957
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
SMILESC=C/C=C\C(=C)N/C(C)=N/CC
InChIInChI=1S/C10H16N2/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3,(H,11,12)/b8-7-
InChIKeyGDABHRIBTKSASI-FPLPWBNLSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
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-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide?
The IUPAC name of N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide (CID 121279957) is N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide.
What is the SMILES notation for N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide?
The canonical SMILES for N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide is C=C/C=C\C(=C)N/C(C)=N/CC.
What is the InChIKey of N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide?
The InChIKey is GDABHRIBTKSASI-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3,(H,11,12)/b8-7-.
What are the key properties of N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide?
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide is sourced from PubChem (CID 121279957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).