1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride

C16H17ClN4 — CID 54604532

IUPAC1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)N/N=C/c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C16H16N4.ClH/c1-18-16(17)20-19-10-11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15;/h2-8,10H,9H2,1H3,(H3,17,18,20);1H/b19-10+;
InChIKeyBHNLEOJBJQGOGG-ZIOFAICLSA-N
MW300.79 g/mol
LogP2.55
Rot. Bonds2

About 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride

1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride (PubChem CID 54604532) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride
PubChem CID54604532
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)N/N=C/c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C16H16N4.ClH/c1-18-16(17)20-19-10-11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15;/h2-8,10H,9H2,1H3,(H3,17,18,20);1H/b19-10+;
InChIKeyBHNLEOJBJQGOGG-ZIOFAICLSA-N
XLogP2.55
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.55
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 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride?
The IUPAC name of 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride (CID 54604532) is 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride.
What is the SMILES notation for 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride?
The canonical SMILES for 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride is C/N=C(\N)N/N=C/c1ccc2c(c1)Cc1ccccc1-2.Cl.
What is the InChIKey of 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride?
The InChIKey is BHNLEOJBJQGOGG-ZIOFAICLSA-N. The full InChI is InChI=1S/C16H16N4.ClH/c1-18-16(17)20-19-10-11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15;/h2-8,10H,9H2,1H3,(H3,17,18,20);1H/b19-10+;.
What are the key properties of 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride?
1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-9H-fluoren-2-ylmethylideneamino]-2-methylguanidine;hydrochloride is sourced from PubChem (CID 54604532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).