3-(diethylaminomethyl)benzohydrazide

C12H19N3O — CID 63571195

IUPAC3-(diethylaminomethyl)benzohydrazide
SMILESCCN(CC)Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)9-10-6-5-7-11(8-10)12(16)14-13/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyCNJAOXFFUAMNMY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.13
Rot. Bonds5

About 3-(diethylaminomethyl)benzohydrazide

3-(diethylaminomethyl)benzohydrazide (PubChem CID 63571195) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(diethylaminomethyl)benzohydrazide.

Molecular Properties

Compound Name3-(diethylaminomethyl)benzohydrazide
PubChem CID63571195
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(diethylaminomethyl)benzohydrazide
SMILESCCN(CC)Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)9-10-6-5-7-11(8-10)12(16)14-13/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyCNJAOXFFUAMNMY-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
CID 113476702
2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid
CID 92921049
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
CID 47059686
3-[(dipropylamino)methyl]benzamide
CID 82041313
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)benzohydrazide?
The IUPAC name of 3-(diethylaminomethyl)benzohydrazide (CID 63571195) is 3-(diethylaminomethyl)benzohydrazide.
What is the SMILES notation for 3-(diethylaminomethyl)benzohydrazide?
The canonical SMILES for 3-(diethylaminomethyl)benzohydrazide is CCN(CC)Cc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-(diethylaminomethyl)benzohydrazide?
The InChIKey is CNJAOXFFUAMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(4-2)9-10-6-5-7-11(8-10)12(16)14-13/h5-8H,3-4,9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(diethylaminomethyl)benzohydrazide?
3-(diethylaminomethyl)benzohydrazide has a molecular weight of 221.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)benzohydrazide is sourced from PubChem (CID 63571195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).