(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide

C10H16N2 — CID 123772432

IUPAC(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide
SMILES[H]/N=C(N)/C(=C/C)C(/C)=C/C(=C)C
InChIInChI=1S/C10H16N2/c1-5-9(10(11)12)8(4)6-7(2)3/h5-6H,2H2,1,3-4H3,(H3,11,12)/b8-6-,9-5-
InChIKeyMSDZBCFQTFFYGK-VZPCVYTNSA-N
MW164.25 g/mol
LogP2.39
Rot. Bonds3

About (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide

(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide (PubChem CID 123772432) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide
PubChem CID123772432
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide
SMILES[H]/N=C(N)/C(=C/C)C(/C)=C/C(=C)C
InChIInChI=1S/C10H16N2/c1-5-9(10(11)12)8(4)6-7(2)3/h5-6H,2H2,1,3-4H3,(H3,11,12)/b8-6-,9-5-
InChIKeyMSDZBCFQTFFYGK-VZPCVYTNSA-N
XLogP2.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.39
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 (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide?
The IUPAC name of (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide (CID 123772432) is (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide.
What is the SMILES notation for (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide?
The canonical SMILES for (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide is [H]/N=C(N)/C(=C/C)C(/C)=C/C(=C)C.
What is the InChIKey of (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide?
The InChIKey is MSDZBCFQTFFYGK-VZPCVYTNSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(10(11)12)8(4)6-7(2)3/h5-6H,2H2,1,3-4H3,(H3,11,12)/b8-6-,9-5-.
What are the key properties of (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide?
(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide is sourced from PubChem (CID 123772432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).