2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one

C16H30N2O — CID 106593039

IUPAC2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCC(C)N1C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C16H30N2O/c1-4-15-9-8-11(2)18(15)16(19)12(3)13-6-5-7-14(17)10-13/h11-15H,4-10,17H2,1-3H3
InChIKeyULYPLDPMBKTREC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds3

About 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one

2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 106593039) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
PubChem CID106593039
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCC(C)N1C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C16H30N2O/c1-4-15-9-8-11(2)18(15)16(19)12(3)13-6-5-7-14(17)10-13/h11-15H,4-10,17H2,1-3H3
InChIKeyULYPLDPMBKTREC-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
CID 106593069
1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 90247385
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 106592903
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
3-[(2R,6S)-2-ethyl-6-methylpiperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 131963736
(2-aminocyclopentyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83228180
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
CID 106592610
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106593089
2-(3-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 106592881
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one (CID 106593039) is 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one is CCC1CCC(C)N1C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is ULYPLDPMBKTREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-15-9-8-11(2)18(15)16(19)12(3)13-6-5-7-14(17)10-13/h11-15H,4-10,17H2,1-3H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 106593039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).