(2E,4E)-2,5-dimethylhepta-2,4-dienimidamide

C9H16N2 — CID 134409274

IUPAC(2E,4E)-2,5-dimethylhepta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C)=C/C=C(\C)CC
InChIInChI=1S/C9H16N2/c1-4-7(2)5-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H3,10,11)/b7-5+,8-6+
InChIKeyDFXULVDLVHVPKK-KQQUZDAGSA-N
MW152.24 g/mol
LogP2.22
Rot. Bonds3

About (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide

(2E,4E)-2,5-dimethylhepta-2,4-dienimidamide (PubChem CID 134409274) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-2,5-dimethylhepta-2,4-dienimidamide
PubChem CID134409274
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2E,4E)-2,5-dimethylhepta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C)=C/C=C(\C)CC
InChIInChI=1S/C9H16N2/c1-4-7(2)5-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H3,10,11)/b7-5+,8-6+
InChIKeyDFXULVDLVHVPKK-KQQUZDAGSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.22
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,4E)-2,5-dimethylhepta-2,4-dienimidamide?
The IUPAC name of (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide (CID 134409274) is (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide is [H]/N=C(N)/C(C)=C/C=C(\C)CC.
What is the InChIKey of (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide?
The InChIKey is DFXULVDLVHVPKK-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7(2)5-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H3,10,11)/b7-5+,8-6+.
What are the key properties of (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide?
(2E,4E)-2,5-dimethylhepta-2,4-dienimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,5-dimethylhepta-2,4-dienimidamide is sourced from PubChem (CID 134409274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).