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

C19H24Cl2N8 — CID 12896968

IUPAC2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)N)ccc1-2.Cl.Cl
InChIInChI=1S/C19H22N8.2ClH/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);2*1H/b24-10+,25-11+;;
InChIKeyQWDJQBZDHYIYSC-GOJPMCMNSA-N
MW435.36 g/mol
LogP2.10
Rot. Bonds4

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

2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride (PubChem CID 12896968) has the molecular formula C19H24Cl2N8 and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride
PubChem CID12896968
Molecular FormulaC19H24Cl2N8
Molecular Weight435.36 g/mol
Exact Mass434.15
IUPAC Name2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)N)ccc1-2.Cl.Cl
InChIInChI=1S/C19H22N8.2ClH/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);2*1H/b24-10+,25-11+;;
InChIKeyQWDJQBZDHYIYSC-GOJPMCMNSA-N
XLogP2.10
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride?
The IUPAC name of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride (CID 12896968) is 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride.
What is the SMILES notation for 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride?
The canonical SMILES for 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride is C/C(=N\N=C(N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/N=C(N)N)ccc1-2.Cl.Cl.
What is the InChIKey of 2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride?
The InChIKey is QWDJQBZDHYIYSC-GOJPMCMNSA-N. The full InChI is InChI=1S/C19H22N8.2ClH/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);2*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;dihydrochloride?
2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride has a molecular weight of 435.36 g/mol, XLogP of 2.10, 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;dihydrochloride is sourced from PubChem (CID 12896968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).