1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone

C15H28N2O — CID 65242450

IUPAC1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCCC1CCCN1C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C15H28N2O/c1-3-13-8-7-11-17(13)14(18)12-15(16-2)9-5-4-6-10-15/h13,16H,3-12H2,1-2H3
InChIKeyGJDYSVFFATWASV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.70
Rot. Bonds4

About 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone

1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone (PubChem CID 65242450) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
PubChem CID65242450
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCCC1CCCN1C(=O)CC1(NC)CCCCC1
InChIInChI=1S/C15H28N2O/c1-3-13-8-7-11-17(13)14(18)12-15(16-2)9-5-4-6-10-15/h13,16H,3-12H2,1-2H3
InChIKeyGJDYSVFFATWASV-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 65242353
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
methyl 1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylate
CID 65242396
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 83227370
1-(5-ethyl-2-methylmorpholin-4-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242004
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
2-[1-(methylamino)cyclohexyl]-1-(4-propan-2-ylazepan-1-yl)ethanone
CID 65242623
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60974351
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone (CID 65242450) is 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone is CCC1CCCN1C(=O)CC1(NC)CCCCC1.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The InChIKey is GJDYSVFFATWASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-13-8-7-11-17(13)14(18)12-15(16-2)9-5-4-6-10-15/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 65242450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).