2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide

C22H28I2N8 — CID 173435898

IUPAC2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide
SMILESCN(C)C(N)=NN=Cc1c2ccccc2c(C=NN=C(N)N(C)C)c2ccccc12.I.I
InChIInChI=1S/C22H26N8.2HI/c1-29(2)21(23)27-25-13-19-15-9-5-7-11-17(15)20(14-26-28-22(24)30(3)4)18-12-8-6-10-16(18)19;;/h5-14H,1-4H3,(H2,23,27)(H2,24,28);2*1H
InChIKeyJVCAUYRAKSQFFC-UHFFFAOYSA-N
MW658.33 g/mol
LogP3.65
Rot. Bonds4

About 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide

2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide (PubChem CID 173435898) has the molecular formula C22H28I2N8 and a molecular weight of 658.33 g/mol. Its IUPAC name is 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide.

Molecular Properties

Compound Name2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide
PubChem CID173435898
Molecular FormulaC22H28I2N8
Molecular Weight658.33 g/mol
Exact Mass658.05
IUPAC Name2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide
SMILESCN(C)C(N)=NN=Cc1c2ccccc2c(C=NN=C(N)N(C)C)c2ccccc12.I.I
InChIInChI=1S/C22H26N8.2HI/c1-29(2)21(23)27-25-13-19-15-9-5-7-11-17(15)20(14-26-28-22(24)30(3)4)18-12-8-6-10-16(18)19;;/h5-14H,1-4H3,(H2,23,27)(H2,24,28);2*1H
InChIKeyJVCAUYRAKSQFFC-UHFFFAOYSA-N
XLogP3.65
TPSA107.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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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Related Compounds

2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
methyl N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamimidothioate iodide
CID 135777394
N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine
CID 4646176
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea
CID 126008593
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849
4-hydroxy-N'-[(2-methyl-1H-indol-3-yl)methylideneamino]benzenecarboximidamide
CID 136656724

Frequently Asked Questions

What is the IUPAC name of 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide?
The IUPAC name of 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide (CID 173435898) is 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide.
What is the SMILES notation for 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide?
The canonical SMILES for 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide is CN(C)C(N)=NN=Cc1c2ccccc2c(C=NN=C(N)N(C)C)c2ccccc12.I.I.
What is the InChIKey of 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide?
The InChIKey is JVCAUYRAKSQFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8.2HI/c1-29(2)21(23)27-25-13-19-15-9-5-7-11-17(15)20(14-26-28-22(24)30(3)4)18-12-8-6-10-16(18)19;;/h5-14H,1-4H3,(H2,23,27)(H2,24,28);2*1H.
What are the key properties of 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide?
2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide has a molecular weight of 658.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-[[[amino(dimethylamino)methylidene]hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]-1,1-dimethylguanidine;dihydroiodide is sourced from PubChem (CID 173435898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).