2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide

C13H18N4O — CID 63583398

IUPAC2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
SMILESCC(C#N)CN(C)Cc1ccccc1C(=O)NN
InChIInChI=1S/C13H18N4O/c1-10(7-14)8-17(2)9-11-5-3-4-6-12(11)13(18)16-15/h3-6,10H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyGCWYLHIWPYDEFB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.88
Rot. Bonds5

About 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide

2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide (PubChem CID 63583398) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
PubChem CID63583398
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
SMILESCC(C#N)CN(C)Cc1ccccc1C(=O)NN
InChIInChI=1S/C13H18N4O/c1-10(7-14)8-17(2)9-11-5-3-4-6-12(11)13(18)16-15/h3-6,10H,8-9,15H2,1-2H3,(H,16,18)
InChIKeyGCWYLHIWPYDEFB-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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

2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351827
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
2-[[bis(cyanomethyl)amino]methyl]benzohydrazide
CID 55214787
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
CID 79489331
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
3-[(2-carbamothioylphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106915708
3-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 104792113
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-(1-cyano-2-methylpropyl)benzohydrazide
CID 121009174
2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide
CID 81318252

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide (CID 63583398) is 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide is CC(C#N)CN(C)Cc1ccccc1C(=O)NN.
What is the InChIKey of 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide?
The InChIKey is GCWYLHIWPYDEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(7-14)8-17(2)9-11-5-3-4-6-12(11)13(18)16-15/h3-6,10H,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide?
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide has a molecular weight of 246.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63583398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).