2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride

C17H20Cl5N7O — CID 172932220

IUPAC2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cc(Cl)cc(Cl)c1.O=Cc1cc(Cl)cc(Cl)c1.[H]/N=C(\N)CN
InChIInChI=1S/C8H8Cl2N4.C7H4Cl2O.C2H7N3.ClH/c9-6-1-5(2-7(10)3-6)4-13-14-8(11)12;8-6-1-5(4-10)2-7(9)3-6;3-1-2(4)5;/h1-4H,(H4,11,12,14);1-4H;1,3H2,(H3,4,5);1H/b13-4+;;;
InChIKeyAFXMVEBWGKOGFZ-XTGBTPHXSA-N
MW515.66 g/mol
LogP3.71
Rot. Bonds4

About 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride

2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 172932220) has the molecular formula C17H20Cl5N7O and a molecular weight of 515.66 g/mol. Its IUPAC name is 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride
PubChem CID172932220
Molecular FormulaC17H20Cl5N7O
Molecular Weight515.66 g/mol
Exact Mass513.02
IUPAC Name2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cc(Cl)cc(Cl)c1.O=Cc1cc(Cl)cc(Cl)c1.[H]/N=C(\N)CN
InChIInChI=1S/C8H8Cl2N4.C7H4Cl2O.C2H7N3.ClH/c9-6-1-5(2-7(10)3-6)4-13-14-8(11)12;8-6-1-5(4-10)2-7(9)3-6;3-1-2(4)5;/h1-4H,(H4,11,12,14);1-4H;1,3H2,(H3,4,5);1H/b13-4+;;;
InChIKeyAFXMVEBWGKOGFZ-XTGBTPHXSA-N
XLogP3.71
TPSA169.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride (CID 172932220) is 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1cc(Cl)cc(Cl)c1.O=Cc1cc(Cl)cc(Cl)c1.[H]/N=C(\N)CN.
What is the InChIKey of 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is AFXMVEBWGKOGFZ-XTGBTPHXSA-N. The full InChI is InChI=1S/C8H8Cl2N4.C7H4Cl2O.C2H7N3.ClH/c9-6-1-5(2-7(10)3-6)4-13-14-8(11)12;8-6-1-5(4-10)2-7(9)3-6;3-1-2(4)5;/h1-4H,(H4,11,12,14);1-4H;1,3H2,(H3,4,5);1H/b13-4+;;;.
What are the key properties of 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride?
2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 515.66 g/mol, XLogP of 3.71, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanimidamide;3,5-dichlorobenzaldehyde;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 172932220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).