ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide

C11H20N2 — CID 142843946

IUPACethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide
SMILESCC.[H]/N=C(N)/C(/C=C\CC)=C/C=C
InChIInChI=1S/C9H14N2.C2H6/c1-3-5-7-8(6-4-2)9(10)11;1-2/h4-7H,2-3H2,1H3,(H3,10,11);1-2H3/b7-5-,8-6+;
InChIKeyWRLULXQVJIPKFA-KHCQPJBVSA-N
MW180.29 g/mol
LogP3.03
Rot. Bonds4

About ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide

ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide (PubChem CID 142843946) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide.

Molecular Properties

Compound Nameethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide
PubChem CID142843946
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide
SMILESCC.[H]/N=C(N)/C(/C=C\CC)=C/C=C
InChIInChI=1S/C9H14N2.C2H6/c1-3-5-7-8(6-4-2)9(10)11;1-2/h4-7H,2-3H2,1H3,(H3,10,11);1-2H3/b7-5-,8-6+;
InChIKeyWRLULXQVJIPKFA-KHCQPJBVSA-N
XLogP3.03
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
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 ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide?
The IUPAC name of ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide (CID 142843946) is ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide.
What is the SMILES notation for ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide?
The canonical SMILES for ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide is CC.[H]/N=C(N)/C(/C=C\CC)=C/C=C.
What is the InChIKey of ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide?
The InChIKey is WRLULXQVJIPKFA-KHCQPJBVSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-3-5-7-8(6-4-2)9(10)11;1-2/h4-7H,2-3H2,1H3,(H3,10,11);1-2H3/b7-5-,8-6+;.
What are the key properties of ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide?
ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide is sourced from PubChem (CID 142843946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).