2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine

C20H22N8 — CID 23471368

IUPAC2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine
SMILESC/N=C(\N)N/N=C/c1c2ccccc2c(/C=N/N/C(N)=N/C)c2ccccc12
InChIInChI=1S/C20H22N8/c1-23-19(21)27-25-11-17-13-7-3-5-9-15(13)18(12-26-28-20(22)24-2)16-10-6-4-8-14(16)17/h3-12H,1-2H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+
InChIKeyFEYWTFUTTKGNEU-KOZSXFMUSA-N
MW374.45 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine

2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine (PubChem CID 23471368) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine
PubChem CID23471368
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine
SMILESC/N=C(\N)N/N=C/c1c2ccccc2c(/C=N/N/C(N)=N/C)c2ccccc12
InChIInChI=1S/C20H22N8/c1-23-19(21)27-25-11-17-13-7-3-5-9-15(13)18(12-26-28-20(22)24-2)16-10-6-4-8-14(16)17/h3-12H,1-2H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+
InChIKeyFEYWTFUTTKGNEU-KOZSXFMUSA-N
XLogP1.73
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.73
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Bisantrene
CID 5351322
Bisantrene Hydrochloride
CID 6917792
9-Anthracenecarbaldehyde thiosemicarbazone
CID 5390233
1,4-Anthracenedicarboxaldehyde, bis((4,5-dihydro-1H-imidazol-2-yl)hydrazone)
CID 9577168
(E)-2-(Pyren-1-ylmethylene)hydrazine-1-carbothioamide (2)
CID 126842657
2-(Phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
CID 44531578
2-(Phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
CID 44531837
2-(Phenanthren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531853
[((1E)-2-(9-anthryl)-1-azavinyl)amino]aminomethane-1-thione
CID 5365423
1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea
CID 10108445
[(E)-[2-(pyren-1-yl)ethylidene]amino]thiourea (3m)
CID 91937887
[(E)-(4-methylnaphthalen-1-yl)methylideneamino]thiourea
CID 134139806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine?
The IUPAC name of 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine (CID 23471368) is 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine?
The canonical SMILES for 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine is C/N=C(\N)N/N=C/c1c2ccccc2c(/C=N/N/C(N)=N/C)c2ccccc12.
What is the InChIKey of 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine?
The InChIKey is FEYWTFUTTKGNEU-KOZSXFMUSA-N. The full InChI is InChI=1S/C20H22N8/c1-23-19(21)27-25-11-17-13-7-3-5-9-15(13)18(12-26-28-20(22)24-2)16-10-6-4-8-14(16)17/h3-12H,1-2H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+.
What are the key properties of 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine?
2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine has a molecular weight of 374.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-[10-[(E)-[(N'-methylcarbamimidoyl)hydrazinylidene]methyl]anthracen-9-yl]methylideneamino]guanidine is sourced from PubChem (CID 23471368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).