2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride

C13H15ClN4 — CID 71584309

IUPAC2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride
SMILESCc1ccc(/C=N/N=C(N)N)c2ccccc12.Cl
InChIInChI=1S/C13H14N4.ClH/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12;/h2-8H,1H3,(H4,14,15,17);1H/b16-8+;
InChIKeyCWWDMFUACKCPIM-OHGISNTKSA-N
MW262.74 g/mol
LogP2.18
Rot. Bonds2

About 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride

2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 71584309) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride
PubChem CID71584309
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride
SMILESCc1ccc(/C=N/N=C(N)N)c2ccccc12.Cl
InChIInChI=1S/C13H14N4.ClH/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12;/h2-8H,1H3,(H4,14,15,17);1H/b16-8+;
InChIKeyCWWDMFUACKCPIM-OHGISNTKSA-N
XLogP2.18
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.18
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)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride (CID 71584309) is 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride is Cc1ccc(/C=N/N=C(N)N)c2ccccc12.Cl.
What is the InChIKey of 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is CWWDMFUACKCPIM-OHGISNTKSA-N. The full InChI is InChI=1S/C13H14N4.ClH/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12;/h2-8H,1H3,(H4,14,15,17);1H/b16-8+;.
What are the key properties of 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-methylnaphthalen-1-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 71584309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).