3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one

C17H32N2O2 — CID 123288935

IUPAC3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one
SMILESCCC1CC(=O)CC(N(C)CCN2CCOCC2)CC1C
InChIInChI=1S/C17H32N2O2/c1-4-15-12-17(20)13-16(11-14(15)2)18(3)5-6-19-7-9-21-10-8-19/h14-16H,4-13H2,1-3H3
InChIKeyWNMQBPWCSHBYGL-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.03
Rot. Bonds5

About 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one

3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one (PubChem CID 123288935) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one
PubChem CID123288935
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one
SMILESCCC1CC(=O)CC(N(C)CCN2CCOCC2)CC1C
InChIInChI=1S/C17H32N2O2/c1-4-15-12-17(20)13-16(11-14(15)2)18(3)5-6-19-7-9-21-10-8-19/h14-16H,4-13H2,1-3H3
InChIKeyWNMQBPWCSHBYGL-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one?
The IUPAC name of 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one (CID 123288935) is 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one?
The canonical SMILES for 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one is CCC1CC(=O)CC(N(C)CCN2CCOCC2)CC1C.
What is the InChIKey of 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one?
The InChIKey is WNMQBPWCSHBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-15-12-17(20)13-16(11-14(15)2)18(3)5-6-19-7-9-21-10-8-19/h14-16H,4-13H2,1-3H3.
What are the key properties of 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one?
3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one has a molecular weight of 296.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 123288935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).