5-(2-methyl-5-propan-2-ylanilino)pentan-2-one

C15H23NO — CID 115236245

IUPAC5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
SMILESCC(=O)CCCNc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H23NO/c1-11(2)14-8-7-12(3)15(10-14)16-9-5-6-13(4)17/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyXUPDYBIYNZKMTI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.90
Rot. Bonds6

About 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one

5-(2-methyl-5-propan-2-ylanilino)pentan-2-one (PubChem CID 115236245) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
PubChem CID115236245
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
SMILESCC(=O)CCCNc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H23NO/c1-11(2)14-8-7-12(3)15(10-14)16-9-5-6-13(4)17/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyXUPDYBIYNZKMTI-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542
4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205162
5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236206
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131547
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
CID 115121142
2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
CID 115250545
methyl 2-(2-methyl-5-propan-2-ylanilino)-2-oxoacetate
CID 115142190

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one?
The IUPAC name of 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one (CID 115236245) is 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one.
What is the SMILES notation for 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one?
The canonical SMILES for 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one is CC(=O)CCCNc1cc(C(C)C)ccc1C.
What is the InChIKey of 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one?
The InChIKey is XUPDYBIYNZKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)14-8-7-12(3)15(10-14)16-9-5-6-13(4)17/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one?
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-ylanilino)pentan-2-one is sourced from PubChem (CID 115236245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).