1-cyano-N,N'-diphenylmethanimidamide

C14H11N3 — CID 22814

IUPAC1-cyano-N,N'-diphenylmethanimidamide
SMILESN#C/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H11N3/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,16,17)
InChIKeyCPFBIBCZHAOUDH-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.35
Rot. Bonds2

About 1-cyano-N,N'-diphenylmethanimidamide

1-cyano-N,N'-diphenylmethanimidamide (PubChem CID 22814) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-cyano-N,N'-diphenylmethanimidamide.

Molecular Properties

Compound Name1-cyano-N,N'-diphenylmethanimidamide
PubChem CID22814
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name1-cyano-N,N'-diphenylmethanimidamide
SMILESN#C/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H11N3/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,16,17)
InChIKeyCPFBIBCZHAOUDH-UHFFFAOYSA-N
XLogP3.35
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyano-N,N'-diphenylmethanimidamide?
The IUPAC name of 1-cyano-N,N'-diphenylmethanimidamide (CID 22814) is 1-cyano-N,N'-diphenylmethanimidamide.
What is the SMILES notation for 1-cyano-N,N'-diphenylmethanimidamide?
The canonical SMILES for 1-cyano-N,N'-diphenylmethanimidamide is N#C/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-cyano-N,N'-diphenylmethanimidamide?
The InChIKey is CPFBIBCZHAOUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,16,17).
What are the key properties of 1-cyano-N,N'-diphenylmethanimidamide?
1-cyano-N,N'-diphenylmethanimidamide has a molecular weight of 221.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N'-diphenylmethanimidamide is sourced from PubChem (CID 22814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).