N'-(4-methylpenta-1,3-dienyl)methanimidamide

C7H12N2 — CID 91611654

IUPACN'-(4-methylpenta-1,3-dienyl)methanimidamide
SMILESCC(C)=CC=C/N=C/N
InChIInChI=1S/C7H12N2/c1-7(2)4-3-5-9-6-8/h3-6H,1-2H3,(H2,8,9)
InChIKeyDYNDRFPGBWNIHD-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About N'-(4-methylpenta-1,3-dienyl)methanimidamide

N'-(4-methylpenta-1,3-dienyl)methanimidamide (PubChem CID 91611654) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-(4-methylpenta-1,3-dienyl)methanimidamide.

Molecular Properties

Compound NameN'-(4-methylpenta-1,3-dienyl)methanimidamide
PubChem CID91611654
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-(4-methylpenta-1,3-dienyl)methanimidamide
SMILESCC(C)=CC=C/N=C/N
InChIInChI=1S/C7H12N2/c1-7(2)4-3-5-9-6-8/h3-6H,1-2H3,(H2,8,9)
InChIKeyDYNDRFPGBWNIHD-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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-methylpenta-1,3-dienyl)methanimidamide?
The IUPAC name of N'-(4-methylpenta-1,3-dienyl)methanimidamide (CID 91611654) is N'-(4-methylpenta-1,3-dienyl)methanimidamide.
What is the SMILES notation for N'-(4-methylpenta-1,3-dienyl)methanimidamide?
The canonical SMILES for N'-(4-methylpenta-1,3-dienyl)methanimidamide is CC(C)=CC=C/N=C/N.
What is the InChIKey of N'-(4-methylpenta-1,3-dienyl)methanimidamide?
The InChIKey is DYNDRFPGBWNIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)4-3-5-9-6-8/h3-6H,1-2H3,(H2,8,9).
What are the key properties of N'-(4-methylpenta-1,3-dienyl)methanimidamide?
N'-(4-methylpenta-1,3-dienyl)methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpenta-1,3-dienyl)methanimidamide is sourced from PubChem (CID 91611654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).