N'-benzhydryl-N-cyanomethanimidamide

C15H13N3 — CID 19855236

IUPACN'-benzhydryl-N-cyanomethanimidamide
SMILESN#CN/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13N3/c16-11-17-12-18-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,(H,17,18)
InChIKeyKALZFTWRPZDBOW-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.87
Rot. Bonds4

About N'-benzhydryl-N-cyanomethanimidamide

N'-benzhydryl-N-cyanomethanimidamide (PubChem CID 19855236) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-benzhydryl-N-cyanomethanimidamide.

Molecular Properties

Compound NameN'-benzhydryl-N-cyanomethanimidamide
PubChem CID19855236
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN'-benzhydryl-N-cyanomethanimidamide
SMILESN#CN/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13N3/c16-11-17-12-18-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,(H,17,18)
InChIKeyKALZFTWRPZDBOW-UHFFFAOYSA-N
XLogP2.87
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
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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Related Compounds

(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
N-benzhydryl-1-cyclopropylmethanimine
CID 53415200
N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine
CID 136915435
N,N'-dibenzhydrylethane-1,2-diimine;diphenylmethanamine;oxaldehyde
CID 163733055
N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide
CID 11240893
1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
N-[(R)-cyano(phenyl)methyl]formamide
CID 124506791
N-(1-phenylbutyl)ethanimine
CID 139668089
(2R)-2-phenylbut-3-enenitrile
CID 92980223
3-bromo-2,3-diphenylpropanenitrile
CID 14451941
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
(2R)-2-bromo-2-phenylacetonitrile
CID 40572467

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-cyanomethanimidamide?
The IUPAC name of N'-benzhydryl-N-cyanomethanimidamide (CID 19855236) is N'-benzhydryl-N-cyanomethanimidamide.
What is the SMILES notation for N'-benzhydryl-N-cyanomethanimidamide?
The canonical SMILES for N'-benzhydryl-N-cyanomethanimidamide is N#CN/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydryl-N-cyanomethanimidamide?
The InChIKey is KALZFTWRPZDBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-11-17-12-18-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,(H,17,18).
What are the key properties of N'-benzhydryl-N-cyanomethanimidamide?
N'-benzhydryl-N-cyanomethanimidamide has a molecular weight of 235.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-cyanomethanimidamide is sourced from PubChem (CID 19855236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).