4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide

C13H21N3O — CID 63573814

IUPAC4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
SMILESCCC(C)N(C)Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)16(3)9-11-5-7-12(8-6-11)13(17)15-14/h5-8,10H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyWUOCPDJTCOCXHX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds5

About 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide

4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide (PubChem CID 63573814) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
PubChem CID63573814
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
SMILESCCC(C)N(C)Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)16(3)9-11-5-7-12(8-6-11)13(17)15-14/h5-8,10H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyWUOCPDJTCOCXHX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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

4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
CID 63578262
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 95904145
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
2-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771
4-butan-2-ylbenzohydrazide
CID 83386529
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide (CID 63573814) is 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide is CCC(C)N(C)Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide?
The InChIKey is WUOCPDJTCOCXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10(2)16(3)9-11-5-7-12(8-6-11)13(17)15-14/h5-8,10H,4,9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide?
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63573814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).