3-N'-(4-methylphenyl)propanediimidamide

C10H14N4 — CID 68503143

IUPAC3-N'-(4-methylphenyl)propanediimidamide
SMILES[H]/N=C(\N)C/C(N)=N/c1ccc(C)cc1
InChIInChI=1S/C10H14N4/c1-7-2-4-8(5-3-7)14-10(13)6-9(11)12/h2-5H,6H2,1H3,(H3,11,12)(H2,13,14)
InChIKeyIMOIZGNRURSFMS-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.31
Rot. Bonds3

About 3-N'-(4-methylphenyl)propanediimidamide

3-N'-(4-methylphenyl)propanediimidamide (PubChem CID 68503143) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-N'-(4-methylphenyl)propanediimidamide.

Molecular Properties

Compound Name3-N'-(4-methylphenyl)propanediimidamide
PubChem CID68503143
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-N'-(4-methylphenyl)propanediimidamide
SMILES[H]/N=C(\N)C/C(N)=N/c1ccc(C)cc1
InChIInChI=1S/C10H14N4/c1-7-2-4-8(5-3-7)14-10(13)6-9(11)12/h2-5H,6H2,1H3,(H3,11,12)(H2,13,14)
InChIKeyIMOIZGNRURSFMS-UHFFFAOYSA-N
XLogP1.31
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N'-(4-methylphenyl)propanediimidamide?
The IUPAC name of 3-N'-(4-methylphenyl)propanediimidamide (CID 68503143) is 3-N'-(4-methylphenyl)propanediimidamide.
What is the SMILES notation for 3-N'-(4-methylphenyl)propanediimidamide?
The canonical SMILES for 3-N'-(4-methylphenyl)propanediimidamide is [H]/N=C(\N)C/C(N)=N/c1ccc(C)cc1.
What is the InChIKey of 3-N'-(4-methylphenyl)propanediimidamide?
The InChIKey is IMOIZGNRURSFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-2-4-8(5-3-7)14-10(13)6-9(11)12/h2-5H,6H2,1H3,(H3,11,12)(H2,13,14).
What are the key properties of 3-N'-(4-methylphenyl)propanediimidamide?
3-N'-(4-methylphenyl)propanediimidamide has a molecular weight of 190.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-(4-methylphenyl)propanediimidamide is sourced from PubChem (CID 68503143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).