6-amino-1-(2,6-dimethylphenyl)hexan-2-one

C14H21NO — CID 116571966

IUPAC6-amino-1-(2,6-dimethylphenyl)hexan-2-one
SMILESCc1cccc(C)c1CC(=O)CCCCN
InChIInChI=1S/C14H21NO/c1-11-6-5-7-12(2)14(11)10-13(16)8-3-4-9-15/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyKNMUUURBBITSQV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds6

About 6-amino-1-(2,6-dimethylphenyl)hexan-2-one

6-amino-1-(2,6-dimethylphenyl)hexan-2-one (PubChem CID 116571966) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-amino-1-(2,6-dimethylphenyl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2,6-dimethylphenyl)hexan-2-one
PubChem CID116571966
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-amino-1-(2,6-dimethylphenyl)hexan-2-one
SMILESCc1cccc(C)c1CC(=O)CCCCN
InChIInChI=1S/C14H21NO/c1-11-6-5-7-12(2)14(11)10-13(16)8-3-4-9-15/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyKNMUUURBBITSQV-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
6-amino-1-(2,6-difluorophenyl)hexan-2-one
CID 114935403
7-amino-1-(2-chloro-6-fluorophenyl)heptan-2-one
CID 116549930
6-amino-1-phenylhexan-2-one
CID 57063081
1-(2,6-dimethylphenyl)-4-propoxybutan-2-one
CID 105123511
1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
CID 116553750
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
1-(2,6-dimethylphenyl)pent-4-en-2-one
CID 116659518
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
4-amino-1-(2,6-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 116608453
6-amino-1-(4-bromophenyl)hexan-2-one
CID 116572013

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2,6-dimethylphenyl)hexan-2-one?
The IUPAC name of 6-amino-1-(2,6-dimethylphenyl)hexan-2-one (CID 116571966) is 6-amino-1-(2,6-dimethylphenyl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(2,6-dimethylphenyl)hexan-2-one?
The canonical SMILES for 6-amino-1-(2,6-dimethylphenyl)hexan-2-one is Cc1cccc(C)c1CC(=O)CCCCN.
What is the InChIKey of 6-amino-1-(2,6-dimethylphenyl)hexan-2-one?
The InChIKey is KNMUUURBBITSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-5-7-12(2)14(11)10-13(16)8-3-4-9-15/h5-7H,3-4,8-10,15H2,1-2H3.
What are the key properties of 6-amino-1-(2,6-dimethylphenyl)hexan-2-one?
6-amino-1-(2,6-dimethylphenyl)hexan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,6-dimethylphenyl)hexan-2-one is sourced from PubChem (CID 116571966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).