N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide

C8H10Cl2N4 — CID 143625634

IUPACN'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide
SMILESCN(N)/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H10Cl2N4/c1-14(12)13-8(11)5-2-6(9)4-7(10)3-5/h2-4H,12H2,1H3,(H2,11,13)
InChIKeyVVRWNULQOSWISJ-UHFFFAOYSA-N
MW233.10 g/mol
LogP1.42
Rot. Bonds2

About N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide

N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide (PubChem CID 143625634) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide
PubChem CID143625634
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC NameN'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide
SMILESCN(N)/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H10Cl2N4/c1-14(12)13-8(11)5-2-6(9)4-7(10)3-5/h2-4H,12H2,1H3,(H2,11,13)
InChIKeyVVRWNULQOSWISJ-UHFFFAOYSA-N
XLogP1.42
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-Chlorobenzene-1-carboximidamide hydrochloride
CID 13165334
3,5-Dichloro-benzamidine
CID 2743160
4-chloro-N'-(dimethylamino)benzenecarboximidamide iodide
CID 45108829
5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
CID 59526774
N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide
CID 146637918
3,5-Dichloro-N-hydroxy-benzamidine
CID 9581027
N'-amino-3-chloro-5-fluorobenzenecarboximidamide
CID 114454378
N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide
CID 116827863
4-chloro-N'-(dimethylamino)benzenecarboximidamide
CID 5714172
4-chloro-N'-(dimethylamino)benzenecarboximidamide;hydroiodide
CID 9583601
3,5-Dichlorobenzenecarboximidamide chloride
CID 45108781
3,5-Dichlorobenzimidamide hydrochloride
CID 2743159

Frequently Asked Questions

What is the IUPAC name of N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide?
The IUPAC name of N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide (CID 143625634) is N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide.
What is the SMILES notation for N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide?
The canonical SMILES for N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide is CN(N)/N=C(\N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide?
The InChIKey is VVRWNULQOSWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4/c1-14(12)13-8(11)5-2-6(9)4-7(10)3-5/h2-4H,12H2,1H3,(H2,11,13).
What are the key properties of N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide?
N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide has a molecular weight of 233.10 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(methyl)amino]-3,5-dichlorobenzenecarboximidamide is sourced from PubChem (CID 143625634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).