6-(N-ethylanilino)hexan-3-one

C14H21NO — CID 106801166

IUPAC6-(N-ethylanilino)hexan-3-one
SMILESCCC(=O)CCCN(CC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-14(16)11-8-12-15(4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKeyKRZCJBZVIMCJBW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.27
Rot. Bonds7

About 6-(N-ethylanilino)hexan-3-one

6-(N-ethylanilino)hexan-3-one (PubChem CID 106801166) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(N-ethylanilino)hexan-3-one.

Molecular Properties

Compound Name6-(N-ethylanilino)hexan-3-one
PubChem CID106801166
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(N-ethylanilino)hexan-3-one
SMILESCCC(=O)CCCN(CC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-14(16)11-8-12-15(4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKeyKRZCJBZVIMCJBW-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-ethylanilino)butanoic acid
CID 11390560
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
3-(N-ethylanilino)propane-1-sulfinic acid
CID 121219374
4-(N-ethylanilino)butanimidamide
CID 24691564
3-(N-ethylanilino)propylurea
CID 112708177
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
N,N-diethylaniline
CID 7061
S-[2-(N-ethylanilino)ethyl] ethanethioate
CID 141102271
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)hexan-3-one?
The IUPAC name of 6-(N-ethylanilino)hexan-3-one (CID 106801166) is 6-(N-ethylanilino)hexan-3-one.
What is the SMILES notation for 6-(N-ethylanilino)hexan-3-one?
The canonical SMILES for 6-(N-ethylanilino)hexan-3-one is CCC(=O)CCCN(CC)c1ccccc1.
What is the InChIKey of 6-(N-ethylanilino)hexan-3-one?
The InChIKey is KRZCJBZVIMCJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(16)11-8-12-15(4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3.
What are the key properties of 6-(N-ethylanilino)hexan-3-one?
6-(N-ethylanilino)hexan-3-one has a molecular weight of 219.33 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)hexan-3-one is sourced from PubChem (CID 106801166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).