1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone

C16H30N2O — CID 83227370

IUPAC1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCCC1CCC(C)N1C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C16H30N2O/c1-4-14-9-8-13(2)18(14)15(19)12-16(17-3)10-6-5-7-11-16/h13-14,17H,4-12H2,1-3H3
InChIKeyIKTXIGVMSWJACW-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone

1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone (PubChem CID 83227370) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
PubChem CID83227370
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCCC1CCC(C)N1C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C16H30N2O/c1-4-14-9-8-13(2)18(14)15(19)12-16(17-3)10-6-5-7-11-16/h13-14,17H,4-12H2,1-3H3
InChIKeyIKTXIGVMSWJACW-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone (CID 83227370) is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone is CCC1CCC(C)N1C(=O)CC1(NC)CCCCC1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The InChIKey is IKTXIGVMSWJACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-14-9-8-13(2)18(14)15(19)12-16(17-3)10-6-5-7-11-16/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone has a molecular weight of 266.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 83227370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).