4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one

C17H34N2O2 — CID 102743737

IUPAC4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one
SMILESCC(C)C(CCN)CCC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)14(9-10-18)7-8-15(20)19-11-16(3,4)21-17(5,6)12-19/h13-14H,7-12,18H2,1-6H3
InChIKeyIMVVOVSZNNDHMI-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.80
Rot. Bonds6

About 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one

4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one (PubChem CID 102743737) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one
PubChem CID102743737
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one
SMILESCC(C)C(CCN)CCC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)14(9-10-18)7-8-15(20)19-11-16(3,4)21-17(5,6)12-19/h13-14H,7-12,18H2,1-6H3
InChIKeyIMVVOVSZNNDHMI-UHFFFAOYSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one (CID 102743737) is 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one is CC(C)C(CCN)CCC(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one?
The InChIKey is IMVVOVSZNNDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)14(9-10-18)7-8-15(20)19-11-16(3,4)21-17(5,6)12-19/h13-14H,7-12,18H2,1-6H3.
What are the key properties of 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one?
4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one has a molecular weight of 298.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one is sourced from PubChem (CID 102743737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).