2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine

C20H22N8O2 — CID 57245159

IUPAC2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine
SMILESCOc1ccc2c(C=NN=C(N)N)c3cc(OC)ccc3c(C=NN=C(N)N)c2c1
InChIInChI=1S/C20H22N8O2/c1-29-11-3-5-13-15(7-11)17(9-25-27-19(21)22)14-6-4-12(30-2)8-16(14)18(13)10-26-28-20(23)24/h3-10H,1-2H3,(H4,21,22,27)(H4,23,24,28)
InChIKeyHBPNDIIVCVBSRU-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.22
Rot. Bonds6

About 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine

2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine (PubChem CID 57245159) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine
PubChem CID57245159
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine
SMILESCOc1ccc2c(C=NN=C(N)N)c3cc(OC)ccc3c(C=NN=C(N)N)c2c1
InChIInChI=1S/C20H22N8O2/c1-29-11-3-5-13-15(7-11)17(9-25-27-19(21)22)14-6-4-12(30-2)8-16(14)18(13)10-26-28-20(23)24/h3-10H,1-2H3,(H4,21,22,27)(H4,23,24,28)
InChIKeyHBPNDIIVCVBSRU-UHFFFAOYSA-N
XLogP1.22
TPSA171.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine?
The IUPAC name of 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine (CID 57245159) is 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine is COc1ccc2c(C=NN=C(N)N)c3cc(OC)ccc3c(C=NN=C(N)N)c2c1.
What is the InChIKey of 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine?
The InChIKey is HBPNDIIVCVBSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-29-11-3-5-13-15(7-11)17(9-25-27-19(21)22)14-6-4-12(30-2)8-16(14)18(13)10-26-28-20(23)24/h3-10H,1-2H3,(H4,21,22,27)(H4,23,24,28).
What are the key properties of 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine?
2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine has a molecular weight of 406.45 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-[(diaminomethylidenehydrazinylidene)methyl]-2,6-dimethoxyanthracen-9-yl]methylideneamino]guanidine is sourced from PubChem (CID 57245159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).