3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide

C13H21N3O — CID 63572517

IUPAC3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
SMILESCC(C)CN(C)Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C13H21N3O/c1-10(2)8-16(3)9-11-5-4-6-12(7-11)13(17)15-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyDLCQRVZWFGWOBO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds5

About 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide

3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide (PubChem CID 63572517) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
PubChem CID63572517
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
SMILESCC(C)CN(C)Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C13H21N3O/c1-10(2)8-16(3)9-11-5-4-6-12(7-11)13(17)15-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyDLCQRVZWFGWOBO-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
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-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
CID 113476702
3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 111488384
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
CID 66242468
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
CID 63584512
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide?
The IUPAC name of 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide (CID 63572517) is 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide is CC(C)CN(C)Cc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide?
The InChIKey is DLCQRVZWFGWOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)8-16(3)9-11-5-4-6-12(7-11)13(17)15-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide?
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63572517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).