3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide

C16H25N3O — CID 63584512

IUPAC3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
SMILESCC1CCCC(N(C)Cc2cccc(C(=O)NN)c2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-3-8-15(9-12)19(2)11-13-6-4-7-14(10-13)16(20)18-17/h4,6-7,10,12,15H,3,5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyASILWKYEUJHVFE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.30
Rot. Bonds4

About 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide

3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide (PubChem CID 63584512) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
PubChem CID63584512
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
SMILESCC1CCCC(N(C)Cc2cccc(C(=O)NN)c2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-3-8-15(9-12)19(2)11-13-6-4-7-14(10-13)16(20)18-17/h4,6-7,10,12,15H,3,5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyASILWKYEUJHVFE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
3-(diethylaminomethyl)benzohydrazide
CID 63571195
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883397
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide?
The IUPAC name of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide (CID 63584512) is 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide is CC1CCCC(N(C)Cc2cccc(C(=O)NN)c2)C1.
What is the InChIKey of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide?
The InChIKey is ASILWKYEUJHVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-3-8-15(9-12)19(2)11-13-6-4-7-14(10-13)16(20)18-17/h4,6-7,10,12,15H,3,5,8-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide?
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide has a molecular weight of 275.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63584512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).