N'-amino-2-(3,5-dimethylphenyl)ethanimidamide

C10H15N3 — CID 76947129

IUPACN'-amino-2-(3,5-dimethylphenyl)ethanimidamide
SMILESCc1cc(C)cc(CC(N)=NN)c1
InChIInChI=1S/C10H15N3/c1-7-3-8(2)5-9(4-7)6-10(11)13-12/h3-5H,6,12H2,1-2H3,(H2,11,13)
InChIKeyUQORHLDQOQEDOW-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.08
Rot. Bonds2

About N'-amino-2-(3,5-dimethylphenyl)ethanimidamide

N'-amino-2-(3,5-dimethylphenyl)ethanimidamide (PubChem CID 76947129) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-amino-2-(3,5-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(3,5-dimethylphenyl)ethanimidamide
PubChem CID76947129
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-amino-2-(3,5-dimethylphenyl)ethanimidamide
SMILESCc1cc(C)cc(CC(N)=NN)c1
InChIInChI=1S/C10H15N3/c1-7-3-8(2)5-9(4-7)6-10(11)13-12/h3-5H,6,12H2,1-2H3,(H2,11,13)
InChIKeyUQORHLDQOQEDOW-UHFFFAOYSA-N
XLogP1.08
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(3,5-dimethylphenyl)ethanimidamide?
The IUPAC name of N'-amino-2-(3,5-dimethylphenyl)ethanimidamide (CID 76947129) is N'-amino-2-(3,5-dimethylphenyl)ethanimidamide.
What is the SMILES notation for N'-amino-2-(3,5-dimethylphenyl)ethanimidamide?
The canonical SMILES for N'-amino-2-(3,5-dimethylphenyl)ethanimidamide is Cc1cc(C)cc(CC(N)=NN)c1.
What is the InChIKey of N'-amino-2-(3,5-dimethylphenyl)ethanimidamide?
The InChIKey is UQORHLDQOQEDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-3-8(2)5-9(4-7)6-10(11)13-12/h3-5H,6,12H2,1-2H3,(H2,11,13).
What are the key properties of N'-amino-2-(3,5-dimethylphenyl)ethanimidamide?
N'-amino-2-(3,5-dimethylphenyl)ethanimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(3,5-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 76947129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).