[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium

C12H13N2O+ — CID 6347163

IUPAC[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
SMILESCOc1ccc2ccccc2c1C(N)=[NH2+]
InChIInChI=1S/C12H12N2O/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3,(H3,13,14)/p+1
InChIKeyRCIGPOBMYPKFBY-UHFFFAOYSA-O
MW201.25 g/mol
LogP0.31
Rot. Bonds2

About [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium

[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium (PubChem CID 6347163) has the molecular formula C12H13N2O+ and a molecular weight of 201.25 g/mol. Its IUPAC name is [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
PubChem CID6347163
Molecular FormulaC12H13N2O+
Molecular Weight201.25 g/mol
Exact Mass201.10
IUPAC Name[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
SMILESCOc1ccc2ccccc2c1C(N)=[NH2+]
InChIInChI=1S/C12H12N2O/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3,(H3,13,14)/p+1
InChIKeyRCIGPOBMYPKFBY-UHFFFAOYSA-O
XLogP0.31
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium?
The IUPAC name of [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium (CID 6347163) is [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium.
What is the SMILES notation for [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium?
The canonical SMILES for [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium is COc1ccc2ccccc2c1C(N)=[NH2+].
What is the InChIKey of [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium?
The InChIKey is RCIGPOBMYPKFBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H12N2O/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3,(H3,13,14)/p+1.
What are the key properties of [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium?
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium has a molecular weight of 201.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-methoxynaphthalen-1-yl)methylidene]azanium is sourced from PubChem (CID 6347163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).