(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide

C12H17N3 — CID 89361275

IUPAC(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide
SMILESCC(=C/N)/C(N)=N/c1cc(C)cc(C)c1
InChIInChI=1S/C12H17N3/c1-8-4-9(2)6-11(5-8)15-12(14)10(3)7-13/h4-7H,13H2,1-3H3,(H2,14,15)/b10-7-
InChIKeyHYQGQRNYVHRDFN-YFHOEESVSA-N
MW203.29 g/mol
LogP2.15
Rot. Bonds2

About (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide

(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide (PubChem CID 89361275) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide
PubChem CID89361275
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide
SMILESCC(=C/N)/C(N)=N/c1cc(C)cc(C)c1
InChIInChI=1S/C12H17N3/c1-8-4-9(2)6-11(5-8)15-12(14)10(3)7-13/h4-7H,13H2,1-3H3,(H2,14,15)/b10-7-
InChIKeyHYQGQRNYVHRDFN-YFHOEESVSA-N
XLogP2.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
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 (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide (CID 89361275) is (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide is CC(=C/N)/C(N)=N/c1cc(C)cc(C)c1.
What is the InChIKey of (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide?
The InChIKey is HYQGQRNYVHRDFN-YFHOEESVSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-4-9(2)6-11(5-8)15-12(14)10(3)7-13/h4-7H,13H2,1-3H3,(H2,14,15)/b10-7-.
What are the key properties of (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide?
(Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide has a molecular weight of 203.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-(3,5-dimethylphenyl)-2-methylprop-2-enimidamide is sourced from PubChem (CID 89361275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).