2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide

C15H24N2O — CID 168853336

IUPAC2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide
SMILESCc1cc(C)c(CN(N)C(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)13(12(3)8-10)9-17(16)14(18)15(4,5)6/h7-8H,9,16H2,1-6H3
InChIKeyCYBISIUFYKVAQR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds2

About 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide

2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide (PubChem CID 168853336) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide
PubChem CID168853336
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide
SMILESCc1cc(C)c(CN(N)C(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)13(12(3)8-10)9-17(16)14(18)15(4,5)6/h7-8H,9,16H2,1-6H3
InChIKeyCYBISIUFYKVAQR-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 115190292
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
N,2-dimethyl-2-(2,4,6-trimethylphenyl)propanehydrazide
CID 116845906
2-amino-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 83540532
3-amino-2-methyl-3-oxo-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid
CID 114899950
3-(diethylamino)-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 79053642
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile
CID 115129421
2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
CID 82131216
2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
CID 151766679
amino-[(2,4-dimethylphenyl)methyl]carbamic acid
CID 149436785

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide (CID 168853336) is 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide is Cc1cc(C)c(CN(N)C(=O)C(C)(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide?
The InChIKey is CYBISIUFYKVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-11(2)13(12(3)8-10)9-17(16)14(18)15(4,5)6/h7-8H,9,16H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide?
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide has a molecular weight of 248.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide is sourced from PubChem (CID 168853336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).