2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride

C19H23ClN8 — CID 54598572

IUPAC2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)N)ccc1-2.Cl
InChIInChI=1S/C19H22N8.ClH/c1-10(24-26-18(20)21)12-3-5-16-14(7-12)9-15-8-13(4-6-17(15)16)11(2)25-27-19(22)23;/h3-8H,9H2,1-2H3,(H4,20,21,26)(H4,22,23,27);1H/b24-10+,25-11+;
InChIKeyLCEYRHCRTXGILW-WIMOUKPPSA-N
MW398.90 g/mol
LogP1.67
Rot. Bonds4

About 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride

2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride (PubChem CID 54598572) has the molecular formula C19H23ClN8 and a molecular weight of 398.90 g/mol. Its IUPAC name is 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride
PubChem CID54598572
Molecular FormulaC19H23ClN8
Molecular Weight398.90 g/mol
Exact Mass398.17
IUPAC Name2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)N)ccc1-2.Cl
InChIInChI=1S/C19H22N8.ClH/c1-10(24-26-18(20)21)12-3-5-16-14(7-12)9-15-8-13(4-6-17(15)16)11(2)25-27-19(22)23;/h3-8H,9H2,1-2H3,(H4,20,21,26)(H4,22,23,27);1H/b24-10+,25-11+;
InChIKeyLCEYRHCRTXGILW-WIMOUKPPSA-N
XLogP1.67
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 51.67
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'}

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Related Compounds

2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride
CID 12896968
2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride
CID 44531182
2-[(E)-1-[4-[2-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethyl]phenyl]ethylideneamino]guanidine;dihydrochloride
CID 134153648
2-[1-(3,4-Dimethylphenyl)ethylideneamino]guanidine
CID 9707392
2-(1-Phenanthren-3-ylethylideneamino)guanidine;hydrochloride
CID 44531570
2-(1-Phenanthren-2-ylethylideneamino)guanidine;hydrochloride
CID 44531574
2-(9H-Fluoren-9-ylidene)hydrazinecarboximidamide
CID 251379
2-[(E)-1-[4-[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]methyl]phenyl]ethylideneamino]guanidine;dihydrochloride
CID 134135092
2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride
CID 134155798
2-[1-(9H-fluoren-2-yl)ethylideneamino]guanidine;hydrochloride
CID 24198543
2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
CID 73347457
2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine
CID 9998018

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride (CID 54598572) is 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride is C/C(=N\N=C(N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)N)ccc1-2.Cl.
What is the InChIKey of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride?
The InChIKey is LCEYRHCRTXGILW-WIMOUKPPSA-N. The full InChI is InChI=1S/C19H22N8.ClH/c1-10(24-26-18(20)21)12-3-5-16-14(7-12)9-15-8-13(4-6-17(15)16)11(2)25-27-19(22)23;/h3-8H,9H2,1-2H3,(H4,20,21,26)(H4,22,23,27);1H/b24-10+,25-11+;.
What are the key properties of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride?
2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride has a molecular weight of 398.90 g/mol, XLogP of 1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54598572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).