(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium

C10H15N4O3+ — CID 135852459

IUPAC(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
SMILESCOc1cc(/C=[NH+]/N=C(N)N)cc(OC)c1O
InChIInChI=1S/C10H14N4O3/c1-16-7-3-6(5-13-14-10(11)12)4-8(17-2)9(7)15/h3-5,15H,1-2H3,(H4,11,12,14)/p+1/b13-5+
InChIKeySXXCDAJIUZFALD-WLRTZDKTSA-O
MW239.26 g/mol
LogP-1.90
Rot. Bonds4

About (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium

(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium (PubChem CID 135852459) has the molecular formula C10H15N4O3+ and a molecular weight of 239.26 g/mol. Its IUPAC name is (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium.

Molecular Properties

Compound Name(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
PubChem CID135852459
Molecular FormulaC10H15N4O3+
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
SMILESCOc1cc(/C=[NH+]/N=C(N)N)cc(OC)c1O
InChIInChI=1S/C10H14N4O3/c1-16-7-3-6(5-13-14-10(11)12)4-8(17-2)9(7)15/h3-5,15H,1-2H3,(H4,11,12,14)/p+1/b13-5+
InChIKeySXXCDAJIUZFALD-WLRTZDKTSA-O
XLogP-1.90
TPSA117.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 7971789
(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium
CID 11935947
(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 9017530
(E)-(diaminomethylideneamino)-[[4-(3,4-dimethoxybenzoyl)oxy-3-methoxyphenyl]methylidene]azanium
CID 9058127
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(Z)-(5-bromo-2-methoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 11865261
(diaminomethylideneamino)-[(4-methylphenyl)methylidene]azanium
CID 172510521
2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine
CID 118871773
2-[[3-[(dimethylamino)methyl]-4-hydroxy-5-methoxyphenyl]methylideneamino]guanidine
CID 168591125
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
CID 11935921
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023

Frequently Asked Questions

What is the IUPAC name of (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium?
The IUPAC name of (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium (CID 135852459) is (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium.
What is the SMILES notation for (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium?
The canonical SMILES for (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium is COc1cc(/C=[NH+]/N=C(N)N)cc(OC)c1O.
What is the InChIKey of (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium?
The InChIKey is SXXCDAJIUZFALD-WLRTZDKTSA-O. The full InChI is InChI=1S/C10H14N4O3/c1-16-7-3-6(5-13-14-10(11)12)4-8(17-2)9(7)15/h3-5,15H,1-2H3,(H4,11,12,14)/p+1/b13-5+.
What are the key properties of (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium?
(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium has a molecular weight of 239.26 g/mol, XLogP of -1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium is sourced from PubChem (CID 135852459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).