2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride

C12H13ClN4 — CID 71717740

IUPAC2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C12H12N4.ClH/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-8H,(H4,13,14,16);1H/b15-8+;
InChIKeyKUPZMLHGEHATMY-TWNLEINFSA-N
MW248.72 g/mol
LogP1.87
Rot. Bonds2

About 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride

2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride (PubChem CID 71717740) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride
PubChem CID71717740
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C12H12N4.ClH/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-8H,(H4,13,14,16);1H/b15-8+;
InChIKeyKUPZMLHGEHATMY-TWNLEINFSA-N
XLogP1.87
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.87
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-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride (CID 71717740) is 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride?
The InChIKey is KUPZMLHGEHATMY-TWNLEINFSA-N. The full InChI is InChI=1S/C12H12N4.ClH/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-8H,(H4,13,14,16);1H/b15-8+;.
What are the key properties of 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride?
2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride has a molecular weight of 248.72 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-naphthalen-2-ylmethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 71717740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).