2-(2-cyano-N-methylanilino)pentanehydrazide

C13H18N4O — CID 83046795

IUPAC2-(2-cyano-N-methylanilino)pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)c1ccccc1C#N
InChIInChI=1S/C13H18N4O/c1-3-6-12(13(18)16-15)17(2)11-8-5-4-7-10(11)9-14/h4-5,7-8,12H,3,6,15H2,1-2H3,(H,16,18)
InChIKeyWBKIZFFXGRFGQU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.15
Rot. Bonds5

About 2-(2-cyano-N-methylanilino)pentanehydrazide

2-(2-cyano-N-methylanilino)pentanehydrazide (PubChem CID 83046795) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-cyano-N-methylanilino)pentanehydrazide.

Molecular Properties

Compound Name2-(2-cyano-N-methylanilino)pentanehydrazide
PubChem CID83046795
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(2-cyano-N-methylanilino)pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)c1ccccc1C#N
InChIInChI=1S/C13H18N4O/c1-3-6-12(13(18)16-15)17(2)11-8-5-4-7-10(11)9-14/h4-5,7-8,12H,3,6,15H2,1-2H3,(H,16,18)
InChIKeyWBKIZFFXGRFGQU-UHFFFAOYSA-N
XLogP1.15
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-cyano-N-methylanilino)pentanoate
CID 83041345
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551916
(2S)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107567318
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
CID 83047917
(2-cyanophenyl)-ethylcarbamothioic S-acid
CID 57225373
3-(2-cyano-N-propylanilino)-2-methylpropanoic acid
CID 82317874
2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 115432690
2-(2-cyano-N-propylanilino)acetic acid
CID 61009108
2-(N-methyl-2-propanoylanilino)benzonitrile
CID 115994661

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-methylanilino)pentanehydrazide?
The IUPAC name of 2-(2-cyano-N-methylanilino)pentanehydrazide (CID 83046795) is 2-(2-cyano-N-methylanilino)pentanehydrazide.
What is the SMILES notation for 2-(2-cyano-N-methylanilino)pentanehydrazide?
The canonical SMILES for 2-(2-cyano-N-methylanilino)pentanehydrazide is CCCC(C(=O)NN)N(C)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyano-N-methylanilino)pentanehydrazide?
The InChIKey is WBKIZFFXGRFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-6-12(13(18)16-15)17(2)11-8-5-4-7-10(11)9-14/h4-5,7-8,12H,3,6,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-cyano-N-methylanilino)pentanehydrazide?
2-(2-cyano-N-methylanilino)pentanehydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-methylanilino)pentanehydrazide is sourced from PubChem (CID 83046795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).