3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one

C15H23NO — CID 116614561

IUPAC3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
SMILESCc1ccc(C(=O)CC(N)CC(C)(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11-5-7-12(8-6-11)14(17)9-13(16)10-15(2,3)4/h5-8,13H,9-10,16H2,1-4H3
InChIKeyZDFOWRWRGCQHHF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one

3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one (PubChem CID 116614561) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
PubChem CID116614561
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
SMILESCc1ccc(C(=O)CC(N)CC(C)(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11-5-7-12(8-6-11)14(17)9-13(16)10-15(2,3)4/h5-8,13H,9-10,16H2,1-4H3
InChIKeyZDFOWRWRGCQHHF-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,4-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614648
3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
CID 116614614
3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
CID 116614669
3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
CID 116614651
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
CID 103967319
3-amino-1-(2,3-difluoro-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 107515023
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one
CID 116614579
3-amino-1-(4-methoxy-2,5-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614674
4,4,4-trichloro-3-hydroxy-1-(4-methylphenyl)butan-1-one
CID 2775711
methyl (2S)-4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 15234707
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one?
The IUPAC name of 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one (CID 116614561) is 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one.
What is the SMILES notation for 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one?
The canonical SMILES for 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one is Cc1ccc(C(=O)CC(N)CC(C)(C)C)cc1.
What is the InChIKey of 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one?
The InChIKey is ZDFOWRWRGCQHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-7-12(8-6-11)14(17)9-13(16)10-15(2,3)4/h5-8,13H,9-10,16H2,1-4H3.
What are the key properties of 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one?
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one is sourced from PubChem (CID 116614561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).