dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine

C12H15N4O3+ — CID 6331948

IUPACdihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ccc2ccccc2c1.O=[N+](O)O
InChIInChI=1S/C12H13N3.H2NO3/c13-12(14)15-8-9-5-6-10-3-1-2-4-11(10)7-9;2-1(3)4/h1-7H,8H2,(H4,13,14,15);(H2,2,3,4)/q;+1
InChIKeyZSSOFFBMLIFGAD-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.16
Rot. Bonds2

About dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine

dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine (PubChem CID 6331948) has the molecular formula C12H15N4O3+ and a molecular weight of 263.28 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
PubChem CID6331948
Molecular FormulaC12H15N4O3+
Molecular Weight263.28 g/mol
Exact Mass263.11
IUPAC Namedihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ccc2ccccc2c1.O=[N+](O)O
InChIInChI=1S/C12H13N3.H2NO3/c13-12(14)15-8-9-5-6-10-3-1-2-4-11(10)7-9;2-1(3)4/h1-7H,8H2,(H4,13,14,15);(H2,2,3,4)/q;+1
InChIKeyZSSOFFBMLIFGAD-UHFFFAOYSA-N
XLogP1.16
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.16
H-Bond Donors ≤ 54
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

2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
2-[6-[(diaminomethylideneamino)methyl]naphthalen-2-yl]oxyethyl thiohypofluorite
CID 138502735
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051695
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide
CID 166213854
(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide
CID 152752799
2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine
CID 177001574
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine?
The IUPAC name of dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine (CID 6331948) is dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine.
What is the SMILES notation for dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine?
The canonical SMILES for dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine is NC(N)=NCc1ccc2ccccc2c1.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine?
The InChIKey is ZSSOFFBMLIFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.H2NO3/c13-12(14)15-8-9-5-6-10-3-1-2-4-11(10)7-9;2-1(3)4/h1-7H,8H2,(H4,13,14,15);(H2,2,3,4)/q;+1.
What are the key properties of dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine?
dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine has a molecular weight of 263.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine is sourced from PubChem (CID 6331948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).