7-amino-5,5-dimethyl-1-phenylheptan-2-one

C15H23NO — CID 116574700

IUPAC7-amino-5,5-dimethyl-1-phenylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,10-11-16)9-8-14(17)12-13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyCACMRFGBQNWHQT-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.95
Rot. Bonds7

About 7-amino-5,5-dimethyl-1-phenylheptan-2-one

7-amino-5,5-dimethyl-1-phenylheptan-2-one (PubChem CID 116574700) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-amino-5,5-dimethyl-1-phenylheptan-2-one.

Molecular Properties

Compound Name7-amino-5,5-dimethyl-1-phenylheptan-2-one
PubChem CID116574700
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-amino-5,5-dimethyl-1-phenylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,10-11-16)9-8-14(17)12-13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKeyCACMRFGBQNWHQT-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
5-amino-5-methyl-1-phenylhexan-2-one
CID 116571213
7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574862
7-amino-1-(3,5-difluorophenyl)-5,5-dimethylheptan-2-one
CID 105411953
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
6-amino-1-phenylhexan-2-one
CID 57063081
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
7-amino-1-(1,3-benzothiazol-2-yl)-5,5-dimethylheptan-2-one
CID 116574888
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
4,4-dimethyl-6-oxo-N,7-diphenylheptanamide
CID 160928097

Frequently Asked Questions

What is the IUPAC name of 7-amino-5,5-dimethyl-1-phenylheptan-2-one?
The IUPAC name of 7-amino-5,5-dimethyl-1-phenylheptan-2-one (CID 116574700) is 7-amino-5,5-dimethyl-1-phenylheptan-2-one.
What is the SMILES notation for 7-amino-5,5-dimethyl-1-phenylheptan-2-one?
The canonical SMILES for 7-amino-5,5-dimethyl-1-phenylheptan-2-one is CC(C)(CCN)CCC(=O)Cc1ccccc1.
What is the InChIKey of 7-amino-5,5-dimethyl-1-phenylheptan-2-one?
The InChIKey is CACMRFGBQNWHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,10-11-16)9-8-14(17)12-13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3.
What are the key properties of 7-amino-5,5-dimethyl-1-phenylheptan-2-one?
7-amino-5,5-dimethyl-1-phenylheptan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,5-dimethyl-1-phenylheptan-2-one is sourced from PubChem (CID 116574700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).