N'-amino-2-(3,4-dimethylphenyl)ethanimidamide

C10H15N3 — CID 62539150

IUPACN'-amino-2-(3,4-dimethylphenyl)ethanimidamide
SMILESCc1ccc(C/C(N)=N/N)cc1C
InChIInChI=1S/C10H15N3/c1-7-3-4-9(5-8(7)2)6-10(11)13-12/h3-5H,6,12H2,1-2H3,(H2,11,13)
InChIKeyWGVHTNCUVIXPIR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.08
Rot. Bonds2

About N'-amino-2-(3,4-dimethylphenyl)ethanimidamide

N'-amino-2-(3,4-dimethylphenyl)ethanimidamide (PubChem CID 62539150) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-amino-2-(3,4-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(3,4-dimethylphenyl)ethanimidamide
PubChem CID62539150
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-amino-2-(3,4-dimethylphenyl)ethanimidamide
SMILESCc1ccc(C/C(N)=N/N)cc1C
InChIInChI=1S/C10H15N3/c1-7-3-4-9(5-8(7)2)6-10(11)13-12/h3-5H,6,12H2,1-2H3,(H2,11,13)
InChIKeyWGVHTNCUVIXPIR-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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Related Compounds

N'-amino-2-(3,5-dimethylphenyl)ethanimidamide
CID 76947129
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
CID 174958902
3-[(3,4-dimethylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 54977733
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
methyl 3-(3,4-dimethylphenyl)-2-oxopropanoate
CID 18371052
N-(4-amino-4-sulfanylidenebutyl)-2-(3,4-dimethylphenyl)acetamide
CID 62667726
(3,4-dimethylphenyl)methylboronic acid
CID 63702768
acetylene;N'-amino-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]ethanimidamide
CID 142996445

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(3,4-dimethylphenyl)ethanimidamide?
The IUPAC name of N'-amino-2-(3,4-dimethylphenyl)ethanimidamide (CID 62539150) is N'-amino-2-(3,4-dimethylphenyl)ethanimidamide.
What is the SMILES notation for N'-amino-2-(3,4-dimethylphenyl)ethanimidamide?
The canonical SMILES for N'-amino-2-(3,4-dimethylphenyl)ethanimidamide is Cc1ccc(C/C(N)=N/N)cc1C.
What is the InChIKey of N'-amino-2-(3,4-dimethylphenyl)ethanimidamide?
The InChIKey is WGVHTNCUVIXPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-3-4-9(5-8(7)2)6-10(11)13-12/h3-5H,6,12H2,1-2H3,(H2,11,13).
What are the key properties of N'-amino-2-(3,4-dimethylphenyl)ethanimidamide?
N'-amino-2-(3,4-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-(3,4-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 62539150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).