ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide

C11H22N2 — CID 177217284

IUPACethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide
SMILESC=C/N=C(N)/C(=C\C)CCC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-7-8(5-2)9(10)11-6-3;1-2/h5-6H,3-4,7H2,1-2H3,(H2,10,11);1-2H3/b8-5-;
InChIKeyZWZUELAAEKCITL-HGKIGUAWSA-N
MW182.31 g/mol
LogP3.26
Rot. Bonds4

About ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide

ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide (PubChem CID 177217284) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide.

Molecular Properties

Compound Nameethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide
PubChem CID177217284
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide
SMILESC=C/N=C(N)/C(=C\C)CCC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-7-8(5-2)9(10)11-6-3;1-2/h5-6H,3-4,7H2,1-2H3,(H2,10,11);1-2H3/b8-5-;
InChIKeyZWZUELAAEKCITL-HGKIGUAWSA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.26
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide?
The IUPAC name of ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide (CID 177217284) is ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide.
What is the SMILES notation for ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide?
The canonical SMILES for ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide is C=C/N=C(N)/C(=C\C)CCC.CC.
What is the InChIKey of ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide?
The InChIKey is ZWZUELAAEKCITL-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-7-8(5-2)9(10)11-6-3;1-2/h5-6H,3-4,7H2,1-2H3,(H2,10,11);1-2H3/b8-5-;.
What are the key properties of ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide?
ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N'-ethenyl-2-ethylidenepentanimidamide is sourced from PubChem (CID 177217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).