N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide

C14H25N3 — CID 91058188

IUPACN-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide
SMILESCC=N/C(=C\C(=CCCC)CC)N/C(C)=N/C
InChIInChI=1S/C14H25N3/c1-6-9-10-13(7-2)11-14(16-8-3)17-12(4)15-5/h8,10-11H,6-7,9H2,1-5H3,(H,15,17)/b13-10?,14-11+,16-8?
InChIKeyVQMMIMNYIFKEAD-ZWDUZVBNSA-N
MW235.37 g/mol
LogP3.69
Rot. Bonds6

About N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide

N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide (PubChem CID 91058188) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide
PubChem CID91058188
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide
SMILESCC=N/C(=C\C(=CCCC)CC)N/C(C)=N/C
InChIInChI=1S/C14H25N3/c1-6-9-10-13(7-2)11-14(16-8-3)17-12(4)15-5/h8,10-11H,6-7,9H2,1-5H3,(H,15,17)/b13-10?,14-11+,16-8?
InChIKeyVQMMIMNYIFKEAD-ZWDUZVBNSA-N
XLogP3.69
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357027

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide?
The IUPAC name of N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide (CID 91058188) is N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide is CC=N/C(=C\C(=CCCC)CC)N/C(C)=N/C.
What is the InChIKey of N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide?
The InChIKey is VQMMIMNYIFKEAD-ZWDUZVBNSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-9-10-13(7-2)11-14(16-8-3)17-12(4)15-5/h8,10-11H,6-7,9H2,1-5H3,(H,15,17)/b13-10?,14-11+,16-8?.
What are the key properties of N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide?
N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide has a molecular weight of 235.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide is sourced from PubChem (CID 91058188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).