N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide

C10H13ClN4 — CID 123499429

IUPACN-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide
SMILES[H]/N=C/C(Cl)/C(=N/c1ccccc1C)NN
InChIInChI=1S/C10H13ClN4/c1-7-4-2-3-5-9(7)14-10(15-13)8(11)6-12/h2-6,8,12H,13H2,1H3,(H,14,15)/b12-6+
InChIKeyXZGBTPPVIGZAPE-WUXMJOGZSA-N
MW224.70 g/mol
LogP1.75
Rot. Bonds3

About N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide

N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide (PubChem CID 123499429) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide.

Molecular Properties

Compound NameN-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide
PubChem CID123499429
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC NameN-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide
SMILES[H]/N=C/C(Cl)/C(=N/c1ccccc1C)NN
InChIInChI=1S/C10H13ClN4/c1-7-4-2-3-5-9(7)14-10(15-13)8(11)6-12/h2-6,8,12H,13H2,1H3,(H,14,15)/b12-6+
InChIKeyXZGBTPPVIGZAPE-WUXMJOGZSA-N
XLogP1.75
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide
CID 123778902
N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide
CID 19847843
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide
CID 137037339
2-methanimidoyl-6-methylbenzohydrazide
CID 23023809
N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
CID 123171228
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
(2Z)-2-hydrazinylidene-N-(2-methylphenyl)ethanimine
CID 118946137
1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine
CID 20702020
N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 90076773

Frequently Asked Questions

What is the IUPAC name of N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide?
The IUPAC name of N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide (CID 123499429) is N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide.
What is the SMILES notation for N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide?
The canonical SMILES for N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide is [H]/N=C/C(Cl)/C(=N/c1ccccc1C)NN.
What is the InChIKey of N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide?
The InChIKey is XZGBTPPVIGZAPE-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-7-4-2-3-5-9(7)14-10(15-13)8(11)6-12/h2-6,8,12H,13H2,1H3,(H,14,15)/b12-6+.
What are the key properties of N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide?
N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide has a molecular weight of 224.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide is sourced from PubChem (CID 123499429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).