4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide

C15H23N3O — CID 63583220

IUPAC4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(Cc1ccc(C(=O)NN)cc1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-2-9-18(10-12-3-4-12)11-13-5-7-14(8-6-13)15(19)17-16/h5-8,12H,2-4,9-11,16H2,1H3,(H,17,19)
InChIKeyOHLPUUOBTOFQTG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds7

About 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide

4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide (PubChem CID 63583220) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
PubChem CID63583220
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(Cc1ccc(C(=O)NN)cc1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-2-9-18(10-12-3-4-12)11-13-5-7-14(8-6-13)15(19)17-16/h5-8,12H,2-4,9-11,16H2,1H3,(H,17,19)
InChIKeyOHLPUUOBTOFQTG-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
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 4-[[cyclopropylmethyl(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

3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438328
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
CID 78820869
4-[4-[[butyl(cyclohexylmethyl)amino]methyl]phenyl]benzoic acid
CID 68521425

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide (CID 63583220) is 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide is CCCN(Cc1ccc(C(=O)NN)cc1)CC1CC1.
What is the InChIKey of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide?
The InChIKey is OHLPUUOBTOFQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-9-18(10-12-3-4-12)11-13-5-7-14(8-6-13)15(19)17-16/h5-8,12H,2-4,9-11,16H2,1H3,(H,17,19).
What are the key properties of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide?
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63583220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).