1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone

C16H30N2O2 — CID 71927982

IUPAC1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-12-6-5-7-14(8-12)20-11-16(19)18-9-13(2)15(10-18)17(3)4/h12-15H,5-11H2,1-4H3
InChIKeyFSLIQTBXLQIBFL-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.99
Rot. Bonds4

About 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone

1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 71927982) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
PubChem CID71927982
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-12-6-5-7-14(8-12)20-11-16(19)18-9-13(2)15(10-18)17(3)4/h12-15H,5-11H2,1-4H3
InChIKeyFSLIQTBXLQIBFL-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone (CID 71927982) is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone is CC1CCCC(OCC(=O)N2CC(C)C(N(C)C)C2)C1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is FSLIQTBXLQIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-6-5-7-14(8-12)20-11-16(19)18-9-13(2)15(10-18)17(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone?
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 282.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 71927982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).