2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride

C18H24Cl2N8O — CID 134133818

IUPAC2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc(Oc2ccc(/C(C)=N/N=C(N)N)cc2)cc1.Cl.Cl
InChIInChI=1S/C18H22N8O.2ClH/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)27-16-9-5-14(6-10-16)12(2)24-26-18(21)22;;/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26);2*1H/b23-11+,24-12+;;
InChIKeyXCYJMIUGFNCZHW-JKCMIZSDSA-N
MW439.35 g/mol
LogP2.32
Rot. Bonds6

About 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride

2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride (PubChem CID 134133818) has the molecular formula C18H24Cl2N8O and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride
PubChem CID134133818
Molecular FormulaC18H24Cl2N8O
Molecular Weight439.35 g/mol
Exact Mass438.15
IUPAC Name2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc(Oc2ccc(/C(C)=N/N=C(N)N)cc2)cc1.Cl.Cl
InChIInChI=1S/C18H22N8O.2ClH/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)27-16-9-5-14(6-10-16)12(2)24-26-18(21)22;;/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26);2*1H/b23-11+,24-12+;;
InChIKeyXCYJMIUGFNCZHW-JKCMIZSDSA-N
XLogP2.32
TPSA162.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

[Bis(4-methoxyphenyl)methylidene]hydrazine
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N''-[4-(benzyloxy)benzylidene]carbonohydrazonic diamide
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CID 168280681
[(E)-1-(4-phenoxyphenyl)ethylideneamino]thiourea
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AE-848/30735034
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N-(2-phenyl-3,4-dihydro-2H-4-chromenyliden(imine))iminomethanediamine. hydrochloride
CID 11087169
2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride
CID 45261328
2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine;hydrochloride
CID 45264823
2-[(Z)-[(E)-3-(2-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52941395
2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine
CID 52941626
2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine
CID 52948829

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride?
The IUPAC name of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride (CID 134133818) is 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride.
What is the SMILES notation for 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride?
The canonical SMILES for 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride is C/C(=N\N=C(N)N)c1ccc(Oc2ccc(/C(C)=N/N=C(N)N)cc2)cc1.Cl.Cl.
What is the InChIKey of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride?
The InChIKey is XCYJMIUGFNCZHW-JKCMIZSDSA-N. The full InChI is InChI=1S/C18H22N8O.2ClH/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)27-16-9-5-14(6-10-16)12(2)24-26-18(21)22;;/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26);2*1H/b23-11+,24-12+;;.
What are the key properties of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride?
2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride has a molecular weight of 439.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;dihydrochloride is sourced from PubChem (CID 134133818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).