5-(2,4-dimethylphenyl)-N-methylpentanehydrazide

C14H22N2O — CID 116845214

IUPAC5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
SMILESCc1ccc(CCCCC(=O)N(C)N)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-8-9-13(12(2)10-11)6-4-5-7-14(17)16(3)15/h8-10H,4-7,15H2,1-3H3
InChIKeyBGHUSSHTZMIVSB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.35
Rot. Bonds5

About 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide

5-(2,4-dimethylphenyl)-N-methylpentanehydrazide (PubChem CID 116845214) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
PubChem CID116845214
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
SMILESCc1ccc(CCCCC(=O)N(C)N)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-8-9-13(12(2)10-11)6-4-5-7-14(17)16(3)15/h8-10H,4-7,15H2,1-3H3
InChIKeyBGHUSSHTZMIVSB-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
CID 116845038
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide?
The IUPAC name of 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide (CID 116845214) is 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide?
The canonical SMILES for 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide is Cc1ccc(CCCCC(=O)N(C)N)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide?
The InChIKey is BGHUSSHTZMIVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-9-13(12(2)10-11)6-4-5-7-14(17)16(3)15/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide?
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide has a molecular weight of 234.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-N-methylpentanehydrazide is sourced from PubChem (CID 116845214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).