1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride

C13H16ClN3O — CID 73350578

IUPAC1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride
SMILESCl.N/C(=N\CCc1cccc2ccccc12)NO
InChIInChI=1S/C13H15N3O.ClH/c14-13(16-17)15-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7,17H,8-9H2,(H3,14,15,16);1H
InChIKeyJNGYOHWLIMSZHW-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.10
Rot. Bonds3

About 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride

1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride (PubChem CID 73350578) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride
PubChem CID73350578
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride
SMILESCl.N/C(=N\CCc1cccc2ccccc12)NO
InChIInChI=1S/C13H15N3O.ClH/c14-13(16-17)15-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7,17H,8-9H2,(H3,14,15,16);1H
InChIKeyJNGYOHWLIMSZHW-UHFFFAOYSA-N
XLogP2.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.10
H-Bond Donors ≤ 53
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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Related Compounds

N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 67553346
2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
CID 69310962
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 110988159
3-naphthalen-1-ylpropan-1-ol
CID 14711518
naphthalen-1-ylmethylhydrazine;hydrochloride
CID 71656108
ethane;2-naphthalen-1-ylethanol
CID 145119048
methanamine;1-propylnaphthalene
CID 174438724
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
2-naphthalen-1-ylethyl acetate
CID 592920
N-(2-naphthalen-1-ylethyl)-1-phenylmethanimine
CID 154126259

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride?
The IUPAC name of 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride (CID 73350578) is 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride?
The canonical SMILES for 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride is Cl.N/C(=N\CCc1cccc2ccccc12)NO.
What is the InChIKey of 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride?
The InChIKey is JNGYOHWLIMSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c14-13(16-17)15-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7,17H,8-9H2,(H3,14,15,16);1H.
What are the key properties of 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride?
1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-naphthalen-1-ylethyl)guanidine;hydrochloride is sourced from PubChem (CID 73350578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).