N,N'-diphenylethanimidamide

C14H14N2 — CID 12117

IUPACN,N'-diphenylethanimidamide
SMILESC/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H14N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16)
InChIKeyCLWIJUQLAFJNOF-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.85
Rot. Bonds2

About N,N'-diphenylethanimidamide

N,N'-diphenylethanimidamide (PubChem CID 12117) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N'-diphenylethanimidamide.

Molecular Properties

Compound NameN,N'-diphenylethanimidamide
PubChem CID12117
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC NameN,N'-diphenylethanimidamide
SMILESC/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H14N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16)
InChIKeyCLWIJUQLAFJNOF-UHFFFAOYSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
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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Related Compounds

Diphenylamine
CID 11487
Diphenylguanidine
CID 7594
1,2,3-Triphenylguanidine
CID 7539
N,N'-Diphenylformamidine
CID 94888
N,N'-Diphenylguanidine monohydrochloride
CID 32260
Phenamazoline
CID 3084422
1-Cyano-N,N'-diphenylformamidine
CID 22814
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268
Diphenylguanidine hydrochloride
CID 520104
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185

Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylethanimidamide?
The IUPAC name of N,N'-diphenylethanimidamide (CID 12117) is N,N'-diphenylethanimidamide.
What is the SMILES notation for N,N'-diphenylethanimidamide?
The canonical SMILES for N,N'-diphenylethanimidamide is C/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of N,N'-diphenylethanimidamide?
The InChIKey is CLWIJUQLAFJNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16).
What are the key properties of N,N'-diphenylethanimidamide?
N,N'-diphenylethanimidamide has a molecular weight of 210.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylethanimidamide is sourced from PubChem (CID 12117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).