6-(N,2-dimethylanilino)hexan-3-one

C14H21NO — CID 106801284

IUPAC6-(N,2-dimethylanilino)hexan-3-one
SMILESCCC(=O)CCCN(C)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-4-13(16)9-7-11-15(3)14-10-6-5-8-12(14)2/h5-6,8,10H,4,7,9,11H2,1-3H3
InChIKeyHLIDZEWCPNFDGS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.19
Rot. Bonds6

About 6-(N,2-dimethylanilino)hexan-3-one

6-(N,2-dimethylanilino)hexan-3-one (PubChem CID 106801284) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(N,2-dimethylanilino)hexan-3-one.

Molecular Properties

Compound Name6-(N,2-dimethylanilino)hexan-3-one
PubChem CID106801284
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(N,2-dimethylanilino)hexan-3-one
SMILESCCC(=O)CCCN(C)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-4-13(16)9-7-11-15(3)14-10-6-5-8-12(14)2/h5-6,8,10H,4,7,9,11H2,1-3H3
InChIKeyHLIDZEWCPNFDGS-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-propylaniline
CID 69435269
5-(N,2-dimethylanilino)pentanehydrazide
CID 63583823
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807
N-[1-(5-butyl-2-methylphenyl)ethenyl]-N,2-dimethylaniline;heptan-3-one
CID 143816182
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618

Frequently Asked Questions

What is the IUPAC name of 6-(N,2-dimethylanilino)hexan-3-one?
The IUPAC name of 6-(N,2-dimethylanilino)hexan-3-one (CID 106801284) is 6-(N,2-dimethylanilino)hexan-3-one.
What is the SMILES notation for 6-(N,2-dimethylanilino)hexan-3-one?
The canonical SMILES for 6-(N,2-dimethylanilino)hexan-3-one is CCC(=O)CCCN(C)c1ccccc1C.
What is the InChIKey of 6-(N,2-dimethylanilino)hexan-3-one?
The InChIKey is HLIDZEWCPNFDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-13(16)9-7-11-15(3)14-10-6-5-8-12(14)2/h5-6,8,10H,4,7,9,11H2,1-3H3.
What are the key properties of 6-(N,2-dimethylanilino)hexan-3-one?
6-(N,2-dimethylanilino)hexan-3-one has a molecular weight of 219.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,2-dimethylanilino)hexan-3-one is sourced from PubChem (CID 106801284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).