4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one

C15H23NO — CID 116916455

IUPAC4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one
SMILESCCCc1ccc(C(=O)CC(C)(C)CN)cc1
InChIInChI=1S/C15H23NO/c1-4-5-12-6-8-13(9-7-12)14(17)10-15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyUIMMPGOBTQSXND-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.20
Rot. Bonds6

About 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one

4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one (PubChem CID 116916455) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one
PubChem CID116916455
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one
SMILESCCCc1ccc(C(=O)CC(C)(C)CN)cc1
InChIInChI=1S/C15H23NO/c1-4-5-12-6-8-13(9-7-12)14(17)10-15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyUIMMPGOBTQSXND-UHFFFAOYSA-N
XLogP3.20
TPSA43.09 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one?
The IUPAC name of 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one (CID 116916455) is 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one.
What is the SMILES notation for 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one?
The canonical SMILES for 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one is CCCc1ccc(C(=O)CC(C)(C)CN)cc1.
What is the InChIKey of 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one?
The InChIKey is UIMMPGOBTQSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-12-6-8-13(9-7-12)14(17)10-15(2,3)11-16/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one?
4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-1-(4-propylphenyl)butan-1-one is sourced from PubChem (CID 116916455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).