5-amino-5-methyl-1-phenylhexan-2-one

C13H19NO — CID 116571213

IUPAC5-amino-5-methyl-1-phenylhexan-2-one
SMILESCC(C)(N)CCC(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,14)9-8-12(15)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3
InChIKeyOLOPBQJLMQEGHT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds5

About 5-amino-5-methyl-1-phenylhexan-2-one

5-amino-5-methyl-1-phenylhexan-2-one (PubChem CID 116571213) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-amino-5-methyl-1-phenylhexan-2-one.

Molecular Properties

Compound Name5-amino-5-methyl-1-phenylhexan-2-one
PubChem CID116571213
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-amino-5-methyl-1-phenylhexan-2-one
SMILESCC(C)(N)CCC(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,14)9-8-12(15)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3
InChIKeyOLOPBQJLMQEGHT-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116571386
7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-phenylhexane-2,5-dione
CID 10035428
tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
6-[4-(5,5-dimethyl-2,6-dioxohexyl)phenyl]-2,2-dimethyl-5-oxohexanal
CID 10291911
6-amino-1-phenylhexan-2-one
CID 57063081
1-phenylheptadecan-2-one
CID 12920609
1-phenyldecane-2,9-dione
CID 146832793
6-amino-5-methyl-1-phenylhexan-2-one
CID 116607418

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methyl-1-phenylhexan-2-one?
The IUPAC name of 5-amino-5-methyl-1-phenylhexan-2-one (CID 116571213) is 5-amino-5-methyl-1-phenylhexan-2-one.
What is the SMILES notation for 5-amino-5-methyl-1-phenylhexan-2-one?
The canonical SMILES for 5-amino-5-methyl-1-phenylhexan-2-one is CC(C)(N)CCC(=O)Cc1ccccc1.
What is the InChIKey of 5-amino-5-methyl-1-phenylhexan-2-one?
The InChIKey is OLOPBQJLMQEGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,14)9-8-12(15)10-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3.
What are the key properties of 5-amino-5-methyl-1-phenylhexan-2-one?
5-amino-5-methyl-1-phenylhexan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-1-phenylhexan-2-one is sourced from PubChem (CID 116571213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).