(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide

C10H16N2 — CID 163248548

IUPAC(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide
SMILES[H]/N=C(N)/C=C(C)\C(C)=C\CC=C
InChIInChI=1S/C10H16N2/c1-4-5-6-8(2)9(3)7-10(11)12/h4,6-7H,1,5H2,2-3H3,(H3,11,12)/b8-6+,9-7-
InChIKeyQWOZNMRPUJJRHI-FFELTBSMSA-N
MW164.25 g/mol
LogP2.39
Rot. Bonds4

About (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide

(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide (PubChem CID 163248548) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide.

Molecular Properties

Compound Name(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide
PubChem CID163248548
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide
SMILES[H]/N=C(N)/C=C(C)\C(C)=C\CC=C
InChIInChI=1S/C10H16N2/c1-4-5-6-8(2)9(3)7-10(11)12/h4,6-7H,1,5H2,2-3H3,(H3,11,12)/b8-6+,9-7-
InChIKeyQWOZNMRPUJJRHI-FFELTBSMSA-N
XLogP2.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide?
The IUPAC name of (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide (CID 163248548) is (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide.
What is the SMILES notation for (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide?
The canonical SMILES for (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide is [H]/N=C(N)/C=C(C)\C(C)=C\CC=C.
What is the InChIKey of (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide?
The InChIKey is QWOZNMRPUJJRHI-FFELTBSMSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-6-8(2)9(3)7-10(11)12/h4,6-7H,1,5H2,2-3H3,(H3,11,12)/b8-6+,9-7-.
What are the key properties of (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide?
(2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,4-dimethylocta-2,4,7-trienimidamide is sourced from PubChem (CID 163248548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).