2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine

C12H14N6 — CID 11254455

IUPAC2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc2c(N)cccc12
InChIInChI=1S/C12H14N6/c13-9-5-1-4-8-7(9)3-2-6-10(8)17-12(16)18-11(14)15/h1-6H,13H2,(H6,14,15,16,17,18)
InChIKeyUWRYNEFHZYYQRB-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.64
Rot. Bonds1

About 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine

2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine (PubChem CID 11254455) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
PubChem CID11254455
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc2c(N)cccc12
InChIInChI=1S/C12H14N6/c13-9-5-1-4-8-7(9)3-2-6-10(8)17-12(16)18-11(14)15/h1-6H,13H2,(H6,14,15,16,17,18)
InChIKeyUWRYNEFHZYYQRB-UHFFFAOYSA-N
XLogP0.64
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine (CID 11254455) is 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1cccc2c(N)cccc12.
What is the InChIKey of 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine?
The InChIKey is UWRYNEFHZYYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c13-9-5-1-4-8-7(9)3-2-6-10(8)17-12(16)18-11(14)15/h1-6H,13H2,(H6,14,15,16,17,18).
What are the key properties of 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine?
2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine has a molecular weight of 242.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 11254455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).