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

C9H16N2 — CID 123195726

IUPAC(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-UOBFQKKOSA-N
MW152.24 g/mol
LogP2.22
Rot. Bonds3

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

(4E)-2,5-dimethylhepta-2,4-dienimidamide (PubChem CID 123195726) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4E)-2,5-dimethylhepta-2,4-dienimidamide.

Molecular Properties

Compound Name(4E)-2,5-dimethylhepta-2,4-dienimidamide
PubChem CID123195726
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(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-UOBFQKKOSA-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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Related Compounds

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-2-ethylidene-3-fluoropent-3-enimidamide
CID 123530189
(2Z)-3-(5-fluoro-2-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-2-prop-1-enylpenta-2,4-dienimidamide
CID 123653519
(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 135254439
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
[Amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
CID 132595472
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
2-Methylidenepent-3-enimidamide
CID 57266179
(Z)-2-propan-2-ylhex-2-enimidamide
CID 88782432
(Z)-4-methyl-2-propan-2-ylpent-2-enimidamide
CID 88783504
(2E,3Z)-2-ethylidenehexa-3,5-dienimidamide
CID 117660284

Frequently Asked Questions

What is the IUPAC name of (4E)-2,5-dimethylhepta-2,4-dienimidamide?
The IUPAC name of (4E)-2,5-dimethylhepta-2,4-dienimidamide (CID 123195726) is (4E)-2,5-dimethylhepta-2,4-dienimidamide.
What is the SMILES notation for (4E)-2,5-dimethylhepta-2,4-dienimidamide?
The canonical SMILES for (4E)-2,5-dimethylhepta-2,4-dienimidamide is [H]/N=C(\N)C(C)=C/C=C(\C)CC.
What is the InChIKey of (4E)-2,5-dimethylhepta-2,4-dienimidamide?
The InChIKey is DFXULVDLVHVPKK-UOBFQKKOSA-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 (4E)-2,5-dimethylhepta-2,4-dienimidamide?
(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 (4E)-2,5-dimethylhepta-2,4-dienimidamide is sourced from PubChem (CID 123195726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).