2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide

C17H27N3O — CID 105351888

IUPAC2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide
SMILESCC1CCCCC1N(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C17H27N3O/c1-13-5-3-4-6-16(13)20(2)12-15-9-7-14(8-10-15)11-17(21)19-18/h7-10,13,16H,3-6,11-12,18H2,1-2H3,(H,19,21)
InChIKeyZCSSUABRECQSNV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351888) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351888
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide
SMILESCC1CCCCC1N(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C17H27N3O/c1-13-5-3-4-6-16(13)20(2)12-15-9-7-14(8-10-15)11-17(21)19-18/h7-10,13,16H,3-6,11-12,18H2,1-2H3,(H,19,21)
InChIKeyZCSSUABRECQSNV-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.23
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 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide with MolForge

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Related Compounds

3-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76912098
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 105347488
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-fluoro-5-[[methyl-(2-methylcyclohexyl)amino]methyl]benzoic acid
CID 107880749
2-[4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
CID 105351935
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 62244773
methyl 2-[2-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115462776
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
CID 105351807
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82959398
2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 82833472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide (CID 105351888) is 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide is CC1CCCCC1N(C)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is ZCSSUABRECQSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-5-3-4-6-16(13)20(2)12-15-9-7-14(8-10-15)11-17(21)19-18/h7-10,13,16H,3-6,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 289.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).