3-[[butyl(methyl)amino]methyl]benzohydrazide

C13H21N3O — CID 63569748

IUPAC3-[[butyl(methyl)amino]methyl]benzohydrazide
SMILESCCCCN(C)Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C13H21N3O/c1-3-4-8-16(2)10-11-6-5-7-12(9-11)13(17)15-14/h5-7,9H,3-4,8,10,14H2,1-2H3,(H,15,17)
InChIKeyRWDJMLMLEQRJAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds6

About 3-[[butyl(methyl)amino]methyl]benzohydrazide

3-[[butyl(methyl)amino]methyl]benzohydrazide (PubChem CID 63569748) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[butyl(methyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[butyl(methyl)amino]methyl]benzohydrazide
PubChem CID63569748
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[butyl(methyl)amino]methyl]benzohydrazide
SMILESCCCCN(C)Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C13H21N3O/c1-3-4-8-16(2)10-11-6-5-7-12(9-11)13(17)15-14/h5-7,9H,3-4,8,10,14H2,1-2H3,(H,15,17)
InChIKeyRWDJMLMLEQRJAM-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.52
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

methyl 3-[[butyl(methyl)amino]methyl]benzoate
CID 78791084
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
CID 113476702
3-[3-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758615
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
1-N,3-N-bis[2-[decyl(methyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139953389
3-bromo-4-[[methyl(pentyl)amino]methyl]benzohydrazide
CID 102774523

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)amino]methyl]benzohydrazide?
The IUPAC name of 3-[[butyl(methyl)amino]methyl]benzohydrazide (CID 63569748) is 3-[[butyl(methyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-[[butyl(methyl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-[[butyl(methyl)amino]methyl]benzohydrazide is CCCCN(C)Cc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[[butyl(methyl)amino]methyl]benzohydrazide?
The InChIKey is RWDJMLMLEQRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-8-16(2)10-11-6-5-7-12(9-11)13(17)15-14/h5-7,9H,3-4,8,10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[[butyl(methyl)amino]methyl]benzohydrazide?
3-[[butyl(methyl)amino]methyl]benzohydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63569748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).