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

C16H25N3O — CID 63571134

IUPAC2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-2-19(14-9-4-3-5-10-14)12-13-8-6-7-11-15(13)16(20)18-17/h6-8,11,14H,2-5,9-10,12,17H2,1H3,(H,18,20)
InChIKeyNZKVVMOUDBVPSQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.44
Rot. Bonds5

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

2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide (PubChem CID 63571134) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
PubChem CID63571134
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-2-19(14-9-4-3-5-10-14)12-13-8-6-7-11-15(13)16(20)18-17/h6-8,11,14H,2-5,9-10,12,17H2,1H3,(H,18,20)
InChIKeyNZKVVMOUDBVPSQ-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.44
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-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
CID 63583264
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
CID 55213439
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146320
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-propylbenzohydrazide
CID 140653675

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide (CID 63571134) is 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide is CCN(Cc1ccccc1C(=O)NN)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide?
The InChIKey is NZKVVMOUDBVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(14-9-4-3-5-10-14)12-13-8-6-7-11-15(13)16(20)18-17/h6-8,11,14H,2-5,9-10,12,17H2,1H3,(H,18,20).
What are the key properties of 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide?
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide has a molecular weight of 275.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63571134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).