2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide

C13H19N3O — CID 63572317

IUPAC2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-16(11-7-8-11)9-10-5-3-4-6-12(10)13(17)15-14/h3-6,11H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyLJQKIDMJQKIQTM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.27
Rot. Bonds5

About 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide

2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide (PubChem CID 63572317) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
PubChem CID63572317
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-16(11-7-8-11)9-10-5-3-4-6-12(10)13(17)15-14/h3-6,11H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyLJQKIDMJQKIQTM-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.27
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

2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
CID 63583264
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
CID 55213439
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-propylbenzohydrazide
CID 140653675
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide
CID 63584881
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide (CID 63572317) is 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide is CCN(Cc1ccccc1C(=O)NN)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
The InChIKey is LJQKIDMJQKIQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16(11-7-8-11)9-10-5-3-4-6-12(10)13(17)15-14/h3-6,11H,2,7-9,14H2,1H3,(H,15,17).
What are the key properties of 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide has a molecular weight of 233.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63572317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).