N'-[(3-cyanophenyl)methyl]benzenecarboximidamide

C15H13N3 — CID 63175867

IUPACN'-[(3-cyanophenyl)methyl]benzenecarboximidamide
SMILESN#Cc1cccc(C/N=C(\N)c2ccccc2)c1
InChIInChI=1S/C15H13N3/c16-10-12-5-4-6-13(9-12)11-18-15(17)14-7-2-1-3-8-14/h1-9H,11H2,(H2,17,18)
InChIKeyDOSMSMTYNTULMK-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.46
Rot. Bonds3

About N'-[(3-cyanophenyl)methyl]benzenecarboximidamide

N'-[(3-cyanophenyl)methyl]benzenecarboximidamide (PubChem CID 63175867) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-[(3-cyanophenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-cyanophenyl)methyl]benzenecarboximidamide
PubChem CID63175867
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN'-[(3-cyanophenyl)methyl]benzenecarboximidamide
SMILESN#Cc1cccc(C/N=C(\N)c2ccccc2)c1
InChIInChI=1S/C15H13N3/c16-10-12-5-4-6-13(9-12)11-18-15(17)14-7-2-1-3-8-14/h1-9H,11H2,(H2,17,18)
InChIKeyDOSMSMTYNTULMK-UHFFFAOYSA-N
XLogP2.46
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.46
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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Related Compounds

N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
CID 63175813
2-[(3-cyanophenyl)methyl]-1,3-diethylguanidine
CID 110915223
2-[(3-cyanophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110911955
N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
CID 169205876
2-[(3-cyanophenyl)methyl]-1-hexylguanidine
CID 111052214
1-amino-2-[(3-cyanophenyl)methyl]-3-cyclopropylguanidine
CID 116513597
3-[(2E)-3-phenylpenta-2,4-dienyl]benzonitrile
CID 144956921
3-[amino(dideuterio)methyl]benzonitrile
CID 175940436
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516
1-(3-carbazol-9-ylphenyl)ethenamine;3-[(1-triphenylen-2-ylethylideneamino)methyl]benzonitrile
CID 153329246
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyanophenyl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(3-cyanophenyl)methyl]benzenecarboximidamide (CID 63175867) is N'-[(3-cyanophenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(3-cyanophenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(3-cyanophenyl)methyl]benzenecarboximidamide is N#Cc1cccc(C/N=C(\N)c2ccccc2)c1.
What is the InChIKey of N'-[(3-cyanophenyl)methyl]benzenecarboximidamide?
The InChIKey is DOSMSMTYNTULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-10-12-5-4-6-13(9-12)11-18-15(17)14-7-2-1-3-8-14/h1-9H,11H2,(H2,17,18).
What are the key properties of N'-[(3-cyanophenyl)methyl]benzenecarboximidamide?
N'-[(3-cyanophenyl)methyl]benzenecarboximidamide has a molecular weight of 235.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyanophenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63175867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).