3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide

C13H21N3O2 — CID 113476702

IUPAC3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
SMILESCN(Cc1cccc(C(=O)NN)c1)C(C)(C)CO
InChIInChI=1S/C13H21N3O2/c1-13(2,9-17)16(3)8-10-5-4-6-11(7-10)12(18)15-14/h4-7,17H,8-9,14H2,1-3H3,(H,15,18)
InChIKeyDLUWTMYWQOBYJG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.49
Rot. Bonds5

About 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide

3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide (PubChem CID 113476702) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
PubChem CID113476702
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
SMILESCN(Cc1cccc(C(=O)NN)c1)C(C)(C)CO
InChIInChI=1S/C13H21N3O2/c1-13(2,9-17)16(3)8-10-5-4-6-11(7-10)12(18)15-14/h4-7,17H,8-9,14H2,1-3H3,(H,15,18)
InChIKeyDLUWTMYWQOBYJG-UHFFFAOYSA-N
XLogP0.49
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
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

3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
CID 63584512
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[hydroxy(oxido)amino]benzohydrazide
CID 163158257
3-(cyanomethyl)benzohydrazide
CID 68715824
3-prop-2-enylbenzohydrazide
CID 20555786

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide?
The IUPAC name of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide (CID 113476702) is 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide.
What is the SMILES notation for 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide?
The canonical SMILES for 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide is CN(Cc1cccc(C(=O)NN)c1)C(C)(C)CO.
What is the InChIKey of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide?
The InChIKey is DLUWTMYWQOBYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,9-17)16(3)8-10-5-4-6-11(7-10)12(18)15-14/h4-7,17H,8-9,14H2,1-3H3,(H,15,18).
What are the key properties of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide?
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide has a molecular weight of 251.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide is sourced from PubChem (CID 113476702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).