6-[ethyl(naphthalen-1-yl)amino]hexan-3-one

C18H23NO — CID 106801134

IUPAC6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)c1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-3-16(20)11-8-14-19(4-2)18-13-7-10-15-9-5-6-12-17(15)18/h5-7,9-10,12-13H,3-4,8,11,14H2,1-2H3
InChIKeyMZIIKHOQRHQOJA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.43
Rot. Bonds7

About 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one

6-[ethyl(naphthalen-1-yl)amino]hexan-3-one (PubChem CID 106801134) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
PubChem CID106801134
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)c1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-3-16(20)11-8-14-19(4-2)18-13-7-10-15-9-5-6-12-17(15)18/h5-7,9-10,12-13H,3-4,8,11,14H2,1-2H3
InChIKeyMZIIKHOQRHQOJA-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(N-ethylanilino)hexan-3-one
CID 106801166
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate
CID 91341170
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
5-[3-[ethyl(naphthalen-1-yl)amino]propyl]-2-fluorobenzoic acid
CID 67532479
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine
CID 63462242
N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine
CID 66473711
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
2-amino-N-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 62271078

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one?
The IUPAC name of 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one (CID 106801134) is 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one.
What is the SMILES notation for 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one?
The canonical SMILES for 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one is CCC(=O)CCCN(CC)c1cccc2ccccc12.
What is the InChIKey of 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one?
The InChIKey is MZIIKHOQRHQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-16(20)11-8-14-19(4-2)18-13-7-10-15-9-5-6-12-17(15)18/h5-7,9-10,12-13H,3-4,8,11,14H2,1-2H3.
What are the key properties of 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one?
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one has a molecular weight of 269.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(naphthalen-1-yl)amino]hexan-3-one is sourced from PubChem (CID 106801134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).