(2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide

C11H16N4 — CID 166940871

IUPAC(2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide
SMILES[H]/N=C(C(\C)=C\C=C)/C(=C\N=C)C(/N)=N/C
InChIInChI=1S/C11H16N4/c1-5-6-8(2)10(12)9(7-14-3)11(13)15-4/h5-7,12H,1,3H2,2,4H3,(H2,13,15)/b8-6+,9-7-,12-10+
InChIKeyYFKZWCGDZHBGCH-JLIPHIEMSA-N
MW204.28 g/mol
LogP1.71
Rot. Bonds5

About (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide

(2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide (PubChem CID 166940871) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide.

Molecular Properties

Compound Name(2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide
PubChem CID166940871
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name(2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide
SMILES[H]/N=C(C(\C)=C\C=C)/C(=C\N=C)C(/N)=N/C
InChIInChI=1S/C11H16N4/c1-5-6-8(2)10(12)9(7-14-3)11(13)15-4/h5-7,12H,1,3H2,2,4H3,(H2,13,15)/b8-6+,9-7-,12-10+
InChIKeyYFKZWCGDZHBGCH-JLIPHIEMSA-N
XLogP1.71
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide?
The IUPAC name of (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide (CID 166940871) is (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide.
What is the SMILES notation for (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide?
The canonical SMILES for (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide is [H]/N=C(C(\C)=C\C=C)/C(=C\N=C)C(/N)=N/C.
What is the InChIKey of (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide?
The InChIKey is YFKZWCGDZHBGCH-JLIPHIEMSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-6-8(2)10(12)9(7-14-3)11(13)15-4/h5-7,12H,1,3H2,2,4H3,(H2,13,15)/b8-6+,9-7-,12-10+.
What are the key properties of (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide?
(2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide has a molecular weight of 204.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-imino-N',4-dimethyl-2-[(methylideneamino)methylidene]hepta-4,6-dienimidamide is sourced from PubChem (CID 166940871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).