(1Z)-N-anilino-3-methylbutanimidoyl cyanide

C12H15N3 — CID 10888950

IUPAC(1Z)-N-anilino-3-methylbutanimidoyl cyanide
SMILESCC(C)C/C(C#N)=N/Nc1ccccc1
InChIInChI=1S/C12H15N3/c1-10(2)8-12(9-13)15-14-11-6-4-3-5-7-11/h3-7,10,14H,8H2,1-2H3/b15-12-
InChIKeyOTSFUEVZOBTBQR-QINSGFPZSA-N
MW201.27 g/mol
LogP3.02
Rot. Bonds4

About (1Z)-N-anilino-3-methylbutanimidoyl cyanide

(1Z)-N-anilino-3-methylbutanimidoyl cyanide (PubChem CID 10888950) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1Z)-N-anilino-3-methylbutanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-anilino-3-methylbutanimidoyl cyanide
PubChem CID10888950
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1Z)-N-anilino-3-methylbutanimidoyl cyanide
SMILESCC(C)C/C(C#N)=N/Nc1ccccc1
InChIInChI=1S/C12H15N3/c1-10(2)8-12(9-13)15-14-11-6-4-3-5-7-11/h3-7,10,14H,8H2,1-2H3/b15-12-
InChIKeyOTSFUEVZOBTBQR-QINSGFPZSA-N
XLogP3.02
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
N-anilino-2-oxopropanimidoyl cyanide
CID 830615
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
CID 169338311
3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide
CID 169338365
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(2E)-N-anilino-4,5-dicyano-1H-imidazole-2-carboximidoyl cyanide
CID 137304177
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
N-(cyanomethyl)-4-methyl-2-phenylpentanamide
CID 173145638
N-[(1S)-1-anilino-2,2,2-trichloroethyl]-3-methylbutanamide
CID 2302485
2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341724

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-anilino-3-methylbutanimidoyl cyanide?
The IUPAC name of (1Z)-N-anilino-3-methylbutanimidoyl cyanide (CID 10888950) is (1Z)-N-anilino-3-methylbutanimidoyl cyanide.
What is the SMILES notation for (1Z)-N-anilino-3-methylbutanimidoyl cyanide?
The canonical SMILES for (1Z)-N-anilino-3-methylbutanimidoyl cyanide is CC(C)C/C(C#N)=N/Nc1ccccc1.
What is the InChIKey of (1Z)-N-anilino-3-methylbutanimidoyl cyanide?
The InChIKey is OTSFUEVZOBTBQR-QINSGFPZSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(2)8-12(9-13)15-14-11-6-4-3-5-7-11/h3-7,10,14H,8H2,1-2H3/b15-12-.
What are the key properties of (1Z)-N-anilino-3-methylbutanimidoyl cyanide?
(1Z)-N-anilino-3-methylbutanimidoyl cyanide has a molecular weight of 201.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-anilino-3-methylbutanimidoyl cyanide is sourced from PubChem (CID 10888950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).