N'-(2-ethylidenehex-3-enyl)propanimidamide

C11H20N2 — CID 91395600

IUPACN'-(2-ethylidenehex-3-enyl)propanimidamide
SMILESCC=C(C=CCC)C/N=C(/N)CC
InChIInChI=1S/C11H20N2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h5,7-8H,4,6,9H2,1-3H3,(H2,12,13)
InChIKeySLANGQLGBIOYSZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds5

About N'-(2-ethylidenehex-3-enyl)propanimidamide

N'-(2-ethylidenehex-3-enyl)propanimidamide (PubChem CID 91395600) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-(2-ethylidenehex-3-enyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-ethylidenehex-3-enyl)propanimidamide
PubChem CID91395600
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-(2-ethylidenehex-3-enyl)propanimidamide
SMILESCC=C(C=CCC)C/N=C(/N)CC
InChIInChI=1S/C11H20N2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h5,7-8H,4,6,9H2,1-3H3,(H2,12,13)
InChIKeySLANGQLGBIOYSZ-UHFFFAOYSA-N
XLogP2.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
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'-(2-ethylidenehex-3-enyl)propanimidamide?
The IUPAC name of N'-(2-ethylidenehex-3-enyl)propanimidamide (CID 91395600) is N'-(2-ethylidenehex-3-enyl)propanimidamide.
What is the SMILES notation for N'-(2-ethylidenehex-3-enyl)propanimidamide?
The canonical SMILES for N'-(2-ethylidenehex-3-enyl)propanimidamide is CC=C(C=CCC)C/N=C(/N)CC.
What is the InChIKey of N'-(2-ethylidenehex-3-enyl)propanimidamide?
The InChIKey is SLANGQLGBIOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h5,7-8H,4,6,9H2,1-3H3,(H2,12,13).
What are the key properties of N'-(2-ethylidenehex-3-enyl)propanimidamide?
N'-(2-ethylidenehex-3-enyl)propanimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylidenehex-3-enyl)propanimidamide is sourced from PubChem (CID 91395600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).