2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride

C15H15ClN4 — CID 44531182

IUPAC2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H14N4.ClH/c16-15(17)19-18-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14;/h1-7,9H,8H2,(H4,16,17,19);1H
InChIKeyGXBDIMZBOQDFJB-UHFFFAOYSA-N
MW286.77 g/mol
LogP2.29
Rot. Bonds2

About 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride

2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride (PubChem CID 44531182) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride
PubChem CID44531182
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H14N4.ClH/c16-15(17)19-18-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14;/h1-7,9H,8H2,(H4,16,17,19);1H
InChIKeyGXBDIMZBOQDFJB-UHFFFAOYSA-N
XLogP2.29
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 52.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride?
The IUPAC name of 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride (CID 44531182) is 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride.
What is the SMILES notation for 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride?
The canonical SMILES for 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride is Cl.NC(N)=NN=Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride?
The InChIKey is GXBDIMZBOQDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4.ClH/c16-15(17)19-18-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14;/h1-7,9H,8H2,(H4,16,17,19);1H.
What are the key properties of 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride?
2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride has a molecular weight of 286.77 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-ylmethylideneamino)guanidine;hydrochloride is sourced from PubChem (CID 44531182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).