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

C13H19NO — CID 116607418

IUPAC6-amino-5-methyl-1-phenylhexan-2-one
SMILESCC(CN)CCC(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(10-14)7-8-13(15)9-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3
InChIKeyXIAZBWYQJPWVNB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.17
Rot. Bonds6

About 6-amino-5-methyl-1-phenylhexan-2-one

6-amino-5-methyl-1-phenylhexan-2-one (PubChem CID 116607418) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-amino-5-methyl-1-phenylhexan-2-one.

Molecular Properties

Compound Name6-amino-5-methyl-1-phenylhexan-2-one
PubChem CID116607418
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-amino-5-methyl-1-phenylhexan-2-one
SMILESCC(CN)CCC(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(10-14)7-8-13(15)9-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3
InChIKeyXIAZBWYQJPWVNB-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116607590
6-amino-1-(3,4-difluorophenyl)-5-methylhexan-2-one
CID 116607655
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
2-[(5-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid
CID 82012634
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
6-amino-1-phenylhexan-2-one
CID 57063081
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-phenylhexane-2,5-dione
CID 10035428
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
CID 160928096
5-amino-5-methyl-1-phenylhexan-2-one
CID 116571213

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-1-phenylhexan-2-one?
The IUPAC name of 6-amino-5-methyl-1-phenylhexan-2-one (CID 116607418) is 6-amino-5-methyl-1-phenylhexan-2-one.
What is the SMILES notation for 6-amino-5-methyl-1-phenylhexan-2-one?
The canonical SMILES for 6-amino-5-methyl-1-phenylhexan-2-one is CC(CN)CCC(=O)Cc1ccccc1.
What is the InChIKey of 6-amino-5-methyl-1-phenylhexan-2-one?
The InChIKey is XIAZBWYQJPWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(10-14)7-8-13(15)9-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3.
What are the key properties of 6-amino-5-methyl-1-phenylhexan-2-one?
6-amino-5-methyl-1-phenylhexan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-1-phenylhexan-2-one is sourced from PubChem (CID 116607418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).