(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine

C10H13N3 — CID 139323966

IUPAC(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine
SMILES[H]/N=C(/C=C\C(=C)C)C(/C=N/[H])=C\N=C
InChIInChI=1S/C10H13N3/c1-8(2)4-5-10(12)9(6-11)7-13-3/h4-7,11-12H,1,3H2,2H3/b5-4-,9-7+,11-6+,12-10-
InChIKeySOQWAHGGYBNUSS-KHHIYOONSA-N
MW175.23 g/mol
LogP2.37
Rot. Bonds5

About (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine

(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine (PubChem CID 139323966) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine.

Molecular Properties

Compound Name(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine
PubChem CID139323966
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine
SMILES[H]/N=C(/C=C\C(=C)C)C(/C=N/[H])=C\N=C
InChIInChI=1S/C10H13N3/c1-8(2)4-5-10(12)9(6-11)7-13-3/h4-7,11-12H,1,3H2,2H3/b5-4-,9-7+,11-6+,12-10-
InChIKeySOQWAHGGYBNUSS-KHHIYOONSA-N
XLogP2.37
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine?
The IUPAC name of (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine (CID 139323966) is (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine.
What is the SMILES notation for (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine?
The canonical SMILES for (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine is [H]/N=C(/C=C\C(=C)C)C(/C=N/[H])=C\N=C.
What is the InChIKey of (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine?
The InChIKey is SOQWAHGGYBNUSS-KHHIYOONSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)4-5-10(12)9(6-11)7-13-3/h4-7,11-12H,1,3H2,2H3/b5-4-,9-7+,11-6+,12-10-.
What are the key properties of (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine?
(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine has a molecular weight of 175.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine is sourced from PubChem (CID 139323966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).