1-(diaminomethylidene)-2-naphthalen-2-ylguanidine

C12H13N5 — CID 14623

IUPAC1-(diaminomethylidene)-2-naphthalen-2-ylguanidine
SMILESNC(N)=N/C(N)=N/c1ccc2ccccc2c1
InChIInChI=1S/C12H13N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H6,13,14,15,16,17)
InChIKeyRDLIBCPWPNCFBW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.06
Rot. Bonds1

About 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine

1-(diaminomethylidene)-2-naphthalen-2-ylguanidine (PubChem CID 14623) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-naphthalen-2-ylguanidine
PubChem CID14623
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-(diaminomethylidene)-2-naphthalen-2-ylguanidine
SMILESNC(N)=N/C(N)=N/c1ccc2ccccc2c1
InChIInChI=1S/C12H13N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H6,13,14,15,16,17)
InChIKeyRDLIBCPWPNCFBW-UHFFFAOYSA-N
XLogP1.06
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
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 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine (CID 14623) is 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine is NC(N)=N/C(N)=N/c1ccc2ccccc2c1.
What is the InChIKey of 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine?
The InChIKey is RDLIBCPWPNCFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine?
1-(diaminomethylidene)-2-naphthalen-2-ylguanidine has a molecular weight of 227.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine is sourced from PubChem (CID 14623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).