5-amino-6-phenylhexan-2-one

C12H17NO — CID 90094782

IUPAC5-amino-6-phenylhexan-2-one
SMILESCC(=O)CCC(N)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(14)7-8-12(13)9-11-5-3-2-4-6-11/h2-6,12H,7-9,13H2,1H3
InChIKeyRYJAAMTWUBDFPP-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds5

About 5-amino-6-phenylhexan-2-one

5-amino-6-phenylhexan-2-one (PubChem CID 90094782) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-amino-6-phenylhexan-2-one.

Molecular Properties

Compound Name5-amino-6-phenylhexan-2-one
PubChem CID90094782
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-amino-6-phenylhexan-2-one
SMILESCC(=O)CCC(N)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(14)7-8-12(13)9-11-5-3-2-4-6-11/h2-6,12H,7-9,13H2,1H3
InChIKeyRYJAAMTWUBDFPP-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
5,6-diphenylhexan-2-one
CID 134938963
(5S)-6-phenylhex-1-ene-2,5-diamine
CID 146226437
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
CID 21074196
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene
CID 159839269
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-phenylhexan-2-one?
The IUPAC name of 5-amino-6-phenylhexan-2-one (CID 90094782) is 5-amino-6-phenylhexan-2-one.
What is the SMILES notation for 5-amino-6-phenylhexan-2-one?
The canonical SMILES for 5-amino-6-phenylhexan-2-one is CC(=O)CCC(N)Cc1ccccc1.
What is the InChIKey of 5-amino-6-phenylhexan-2-one?
The InChIKey is RYJAAMTWUBDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(14)7-8-12(13)9-11-5-3-2-4-6-11/h2-6,12H,7-9,13H2,1H3.
What are the key properties of 5-amino-6-phenylhexan-2-one?
5-amino-6-phenylhexan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-phenylhexan-2-one is sourced from PubChem (CID 90094782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).