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

C13H19N3O — CID 55214209

IUPAC3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1cccc(C(=O)NN)c1)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-16(12-6-7-12)9-10-4-3-5-11(8-10)13(17)15-14/h3-5,8,12H,2,6-7,9,14H2,1H3,(H,15,17)
InChIKeyGFBGCJSFRJTCOE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.27
Rot. Bonds5

About 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide

3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide (PubChem CID 55214209) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
PubChem CID55214209
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1cccc(C(=O)NN)c1)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-16(12-6-7-12)9-10-4-3-5-11(8-10)13(17)15-14/h3-5,8,12H,2,6-7,9,14H2,1H3,(H,15,17)
InChIKeyGFBGCJSFRJTCOE-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

3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[[2-cyanoethyl(cyclopropyl)amino]methyl]benzohydrazide
CID 63583070
3-(diethylaminomethyl)benzohydrazide
CID 63571195
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
CID 60805783
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
CID 63584512
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
3-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]benzoic acid
CID 122029039
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[3-[[cyclopropyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 54974929
methyl 3-[[azepan-4-yl(ethyl)amino]methyl]benzoate;hydrochloride
CID 120844863
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
The IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide (CID 55214209) is 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide is CCN(Cc1cccc(C(=O)NN)c1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
The InChIKey is GFBGCJSFRJTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16(12-6-7-12)9-10-4-3-5-11(8-10)13(17)15-14/h3-5,8,12H,2,6-7,9,14H2,1H3,(H,15,17).
What are the key properties of 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide?
3-[[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 3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 55214209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).