2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine

C15H16N6 — CID 11245125

IUPAC2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine
SMILESNC(N)=Nc1ccc2c(c1)Cc1cc(N=C(N)N)ccc1-2
InChIInChI=1S/C15H16N6/c16-14(17)20-10-1-3-12-8(6-10)5-9-7-11(21-15(18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H4,16,17,20)(H4,18,19,21)
InChIKeyWPXDFZVGOJKZMG-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.07
Rot. Bonds2

About 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine

2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine (PubChem CID 11245125) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine.

Molecular Properties

Compound Name2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine
PubChem CID11245125
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine
SMILESNC(N)=Nc1ccc2c(c1)Cc1cc(N=C(N)N)ccc1-2
InChIInChI=1S/C15H16N6/c16-14(17)20-10-1-3-12-8(6-10)5-9-7-11(21-15(18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H4,16,17,20)(H4,18,19,21)
InChIKeyWPXDFZVGOJKZMG-UHFFFAOYSA-N
XLogP1.07
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine?
The IUPAC name of 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine (CID 11245125) is 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine.
What is the SMILES notation for 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine?
The canonical SMILES for 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine is NC(N)=Nc1ccc2c(c1)Cc1cc(N=C(N)N)ccc1-2.
What is the InChIKey of 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine?
The InChIKey is WPXDFZVGOJKZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-14(17)20-10-1-3-12-8(6-10)5-9-7-11(21-15(18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H4,16,17,20)(H4,18,19,21).
What are the key properties of 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine?
2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine has a molecular weight of 280.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine is sourced from PubChem (CID 11245125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).