2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride

C18H19ClN4 — CID 54611026

IUPAC2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride
SMILESC/N=C(\N)N/N=C(\C)c1ccc2ccc3ccccc3c2c1.Cl
InChIInChI=1S/C18H18N4.ClH/c1-12(21-22-18(19)20-2)15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)11-15;/h3-11H,1-2H3,(H3,19,20,22);1H/b21-12+;
InChIKeyFASXITWDKRLTFO-BFVDCFMLSA-N
MW326.83 g/mol
LogP3.67
Rot. Bonds2

About 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride

2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride (PubChem CID 54611026) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride
PubChem CID54611026
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride
SMILESC/N=C(\N)N/N=C(\C)c1ccc2ccc3ccccc3c2c1.Cl
InChIInChI=1S/C18H18N4.ClH/c1-12(21-22-18(19)20-2)15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)11-15;/h3-11H,1-2H3,(H3,19,20,22);1H/b21-12+;
InChIKeyFASXITWDKRLTFO-BFVDCFMLSA-N
XLogP3.67
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(Z)-1-[8-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzofuran-2-yl]ethylideneamino]guanidine
CID 92529079
2-methyl-1-[(E)-1-[4-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]fluoranthen-8-yl]ethylideneamino]guanidine;hydrochloride
CID 54598626
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium
CID 44576955
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
CID 9070813
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride (CID 54611026) is 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride is C/N=C(\N)N/N=C(\C)c1ccc2ccc3ccccc3c2c1.Cl.
What is the InChIKey of 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride?
The InChIKey is FASXITWDKRLTFO-BFVDCFMLSA-N. The full InChI is InChI=1S/C18H18N4.ClH/c1-12(21-22-18(19)20-2)15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)11-15;/h3-11H,1-2H3,(H3,19,20,22);1H/b21-12+;.
What are the key properties of 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride?
2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54611026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).