4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide

C16H25N3O — CID 63571457

IUPAC4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
SMILESCN(Cc1ccc(C(=O)NN)cc1)C1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-19(15-6-4-2-3-5-7-15)12-13-8-10-14(11-9-13)16(20)18-17/h8-11,15H,2-7,12,17H2,1H3,(H,18,20)
InChIKeyVUGNEEFVLHFELL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.44
Rot. Bonds4

About 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide

4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide (PubChem CID 63571457) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
PubChem CID63571457
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
SMILESCN(Cc1ccc(C(=O)NN)cc1)C1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-19(15-6-4-2-3-5-7-15)12-13-8-10-14(11-9-13)16(20)18-17/h8-11,15H,2-7,12,17H2,1H3,(H,18,20)
InChIKeyVUGNEEFVLHFELL-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[[cyclopentyl(methyl)amino]methyl]-N-methylbenzamide;4-formyl-N-methylbenzamide;N-methylcyclopentanamine
CID 158933344
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]ethynyl]benzamide
CID 59697796
N-[(2S)-1-amino-4-hydroxy-3-oxobutan-2-yl]-4-[2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]ethynyl]benzamide
CID 58343029
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
CID 69260218
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
CID 69259456
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854

Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide (CID 63571457) is 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide is CN(Cc1ccc(C(=O)NN)cc1)C1CCCCCC1.
What is the InChIKey of 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide?
The InChIKey is VUGNEEFVLHFELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(15-6-4-2-3-5-7-15)12-13-8-10-14(11-9-13)16(20)18-17/h8-11,15H,2-7,12,17H2,1H3,(H,18,20).
What are the key properties of 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide?
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide has a molecular weight of 275.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63571457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).