6-(3-ethylmorpholin-4-yl)hexan-3-one

C12H23NO2 — CID 106801201

IUPAC6-(3-ethylmorpholin-4-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCOCC1CC
InChIInChI=1S/C12H23NO2/c1-3-11-10-15-9-8-13(11)7-5-6-12(14)4-2/h11H,3-10H2,1-2H3
InChIKeyCTHVIIXVBWGXGM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.86
Rot. Bonds6

About 6-(3-ethylmorpholin-4-yl)hexan-3-one

6-(3-ethylmorpholin-4-yl)hexan-3-one (PubChem CID 106801201) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-(3-ethylmorpholin-4-yl)hexan-3-one.

Molecular Properties

Compound Name6-(3-ethylmorpholin-4-yl)hexan-3-one
PubChem CID106801201
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6-(3-ethylmorpholin-4-yl)hexan-3-one
SMILESCCC(=O)CCCN1CCOCC1CC
InChIInChI=1S/C12H23NO2/c1-3-11-10-15-9-8-13(11)7-5-6-12(14)4-2/h11H,3-10H2,1-2H3
InChIKeyCTHVIIXVBWGXGM-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
CID 43793216
N-[4-(3-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62432568
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
3-ethyl-4-hexadecylmorpholine;ethyl hydrogen sulfate
CID 158591887
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
N-[3-(3-ethylmorpholin-4-yl)propyl]cyclopropanamine
CID 60867675
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
3,4-di(tridecyl)morpholine
CID 172742724
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylmorpholin-4-yl)hexan-3-one?
The IUPAC name of 6-(3-ethylmorpholin-4-yl)hexan-3-one (CID 106801201) is 6-(3-ethylmorpholin-4-yl)hexan-3-one.
What is the SMILES notation for 6-(3-ethylmorpholin-4-yl)hexan-3-one?
The canonical SMILES for 6-(3-ethylmorpholin-4-yl)hexan-3-one is CCC(=O)CCCN1CCOCC1CC.
What is the InChIKey of 6-(3-ethylmorpholin-4-yl)hexan-3-one?
The InChIKey is CTHVIIXVBWGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11-10-15-9-8-13(11)7-5-6-12(14)4-2/h11H,3-10H2,1-2H3.
What are the key properties of 6-(3-ethylmorpholin-4-yl)hexan-3-one?
6-(3-ethylmorpholin-4-yl)hexan-3-one has a molecular weight of 213.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylmorpholin-4-yl)hexan-3-one is sourced from PubChem (CID 106801201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).