1-cyano-2-(2,2-diphenylethyl)guanidine

C16H16N4 — CID 142011471

IUPAC1-cyano-2-(2,2-diphenylethyl)guanidine
SMILESN#CN/C(N)=N/CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N4/c17-12-20-16(18)19-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2,(H3,18,19,20)
InChIKeyWMOURDQBHRVQFE-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.20
Rot. Bonds4

About 1-cyano-2-(2,2-diphenylethyl)guanidine

1-cyano-2-(2,2-diphenylethyl)guanidine (PubChem CID 142011471) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyano-2-(2,2-diphenylethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2,2-diphenylethyl)guanidine
PubChem CID142011471
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-cyano-2-(2,2-diphenylethyl)guanidine
SMILESN#CN/C(N)=N/CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N4/c17-12-20-16(18)19-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2,(H3,18,19,20)
InChIKeyWMOURDQBHRVQFE-UHFFFAOYSA-N
XLogP2.20
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 1-cyano-2-(2,2-diphenylethyl)guanidine?
The IUPAC name of 1-cyano-2-(2,2-diphenylethyl)guanidine (CID 142011471) is 1-cyano-2-(2,2-diphenylethyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2,2-diphenylethyl)guanidine?
The canonical SMILES for 1-cyano-2-(2,2-diphenylethyl)guanidine is N#CN/C(N)=N/CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyano-2-(2,2-diphenylethyl)guanidine?
The InChIKey is WMOURDQBHRVQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-12-20-16(18)19-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2,(H3,18,19,20).
What are the key properties of 1-cyano-2-(2,2-diphenylethyl)guanidine?
1-cyano-2-(2,2-diphenylethyl)guanidine has a molecular weight of 264.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2,2-diphenylethyl)guanidine is sourced from PubChem (CID 142011471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).