N',4-dimethylpenta-2,4-dienimidamide

C7H12N2 — CID 123250461

IUPACN',4-dimethylpenta-2,4-dienimidamide
SMILESC=C(C)C=C/C(N)=N/C
InChIInChI=1S/C7H12N2/c1-6(2)4-5-7(8)9-3/h4-5H,1H2,2-3H3,(H2,8,9)
InChIKeyMNIPSEPGCGLCCN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds2

About N',4-dimethylpenta-2,4-dienimidamide

N',4-dimethylpenta-2,4-dienimidamide (PubChem CID 123250461) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N',4-dimethylpenta-2,4-dienimidamide.

Molecular Properties

Compound NameN',4-dimethylpenta-2,4-dienimidamide
PubChem CID123250461
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN',4-dimethylpenta-2,4-dienimidamide
SMILESC=C(C)C=C/C(N)=N/C
InChIInChI=1S/C7H12N2/c1-6(2)4-5-7(8)9-3/h4-5H,1H2,2-3H3,(H2,8,9)
InChIKeyMNIPSEPGCGLCCN-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
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 N',4-dimethylpenta-2,4-dienimidamide?
The IUPAC name of N',4-dimethylpenta-2,4-dienimidamide (CID 123250461) is N',4-dimethylpenta-2,4-dienimidamide.
What is the SMILES notation for N',4-dimethylpenta-2,4-dienimidamide?
The canonical SMILES for N',4-dimethylpenta-2,4-dienimidamide is C=C(C)C=C/C(N)=N/C.
What is the InChIKey of N',4-dimethylpenta-2,4-dienimidamide?
The InChIKey is MNIPSEPGCGLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)4-5-7(8)9-3/h4-5H,1H2,2-3H3,(H2,8,9).
What are the key properties of N',4-dimethylpenta-2,4-dienimidamide?
N',4-dimethylpenta-2,4-dienimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethylpenta-2,4-dienimidamide is sourced from PubChem (CID 123250461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).