5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one

C13H26N2O2 — CID 82848307

IUPAC5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one
SMILESCCC1COC(C)CN1C(=O)CCCC(C)N
InChIInChI=1S/C13H26N2O2/c1-4-12-9-17-11(3)8-15(12)13(16)7-5-6-10(2)14/h10-12H,4-9,14H2,1-3H3
InChIKeyWWCIAHUKENWATR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds5

About 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one

5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one (PubChem CID 82848307) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one
PubChem CID82848307
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one
SMILESCCC1COC(C)CN1C(=O)CCCC(C)N
InChIInChI=1S/C13H26N2O2/c1-4-12-9-17-11(3)8-15(12)13(16)7-5-6-10(2)14/h10-12H,4-9,14H2,1-3H3
InChIKeyWWCIAHUKENWATR-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
CID 43579218
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-one
CID 43650344
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992156
2-hydroxyethyl 5-ethyl-2-methylmorpholine-4-carboxylate
CID 79345232
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
CID 62361901
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
2-(5-ethyl-2-methylmorpholine-4-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924673
2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 63589592
1-(5-ethyl-2-methylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103029074

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one (CID 82848307) is 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one is CCC1COC(C)CN1C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one?
The InChIKey is WWCIAHUKENWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12-9-17-11(3)8-15(12)13(16)7-5-6-10(2)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one?
5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one is sourced from PubChem (CID 82848307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).