2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide

C14H23N3O — CID 55212652

IUPAC2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(Cc1ccccc1C(=O)NN)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-9-17(11(2)3)10-12-7-5-6-8-13(12)14(18)16-15/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyCKVHVVCOZQJCMW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.91
Rot. Bonds6

About 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide

2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide (PubChem CID 55212652) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
PubChem CID55212652
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(Cc1ccccc1C(=O)NN)C(C)C
InChIInChI=1S/C14H23N3O/c1-4-9-17(11(2)3)10-12-7-5-6-8-13(12)14(18)16-15/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyCKVHVVCOZQJCMW-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.91
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'}

Analyze 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
CID 79489331
2-propylbenzohydrazide
CID 140653675
2-[[propan-2-yl(propyl)amino]methyl]phenol
CID 79038025
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
3-bromo-4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 102774520
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
CID 63585311
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide (CID 55212652) is 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide is CCCN(Cc1ccccc1C(=O)NN)C(C)C.
What is the InChIKey of 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
The InChIKey is CKVHVVCOZQJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-9-17(11(2)3)10-12-7-5-6-8-13(12)14(18)16-15/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide?
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide has a molecular weight of 249.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 55212652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).