(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide

C10H12ClN3 — CID 89361248

IUPAC(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide
SMILESCC(=C/N)/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3/c1-7(6-12)10(13)14-9-4-2-8(11)3-5-9/h2-6H,12H2,1H3,(H2,13,14)/b7-6-
InChIKeyMCYVMYYQJXYSHY-SREVYHEPSA-N
MW209.68 g/mol
LogP2.19
Rot. Bonds2

About (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide

(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide (PubChem CID 89361248) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide
PubChem CID89361248
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide
SMILESCC(=C/N)/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3/c1-7(6-12)10(13)14-9-4-2-8(11)3-5-9/h2-6H,12H2,1H3,(H2,13,14)/b7-6-
InChIKeyMCYVMYYQJXYSHY-SREVYHEPSA-N
XLogP2.19
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.19
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'-(4-chlorophenyl)-2-methylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide (CID 89361248) is (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide is CC(=C/N)/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide?
The InChIKey is MCYVMYYQJXYSHY-SREVYHEPSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-7(6-12)10(13)14-9-4-2-8(11)3-5-9/h2-6H,12H2,1H3,(H2,13,14)/b7-6-.
What are the key properties of (Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide?
(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide has a molecular weight of 209.68 g/mol, XLogP of 2.19, 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'-(4-chlorophenyl)-2-methylprop-2-enimidamide is sourced from PubChem (CID 89361248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).