N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide

C14H22N2 — CID 134214378

IUPACN-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide
SMILESC=CN/C(C)=N/C=C\C(C)=C(\C=C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-14(11(3)4)12(5)9-10-16-13(6)15-8-2/h7-11H,1-2H2,3-6H3,(H,15,16)/b10-9-,14-12-
InChIKeyARKCEJQKHLUXAA-HALDLEKHSA-N
MW218.34 g/mol
LogP3.81
Rot. Bonds5

About N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide

N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide (PubChem CID 134214378) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide
PubChem CID134214378
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide
SMILESC=CN/C(C)=N/C=C\C(C)=C(\C=C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-14(11(3)4)12(5)9-10-16-13(6)15-8-2/h7-11H,1-2H2,3-6H3,(H,15,16)/b10-9-,14-12-
InChIKeyARKCEJQKHLUXAA-HALDLEKHSA-N
XLogP3.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.81
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-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide?
The IUPAC name of N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide (CID 134214378) is N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide?
The canonical SMILES for N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide is C=CN/C(C)=N/C=C\C(C)=C(\C=C)C(C)C.
What is the InChIKey of N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide?
The InChIKey is ARKCEJQKHLUXAA-HALDLEKHSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-14(11(3)4)12(5)9-10-16-13(6)15-8-2/h7-11H,1-2H2,3-6H3,(H,15,16)/b10-9-,14-12-.
What are the key properties of N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide?
N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide is sourced from PubChem (CID 134214378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).