(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C15H28N2O — CID 83227366

IUPAC(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)C1CCCCCC1N
InChIInChI=1S/C15H28N2O/c1-3-12-10-9-11(2)17(12)15(18)13-7-5-4-6-8-14(13)16/h11-14H,3-10,16H2,1-2H3
InChIKeyXJGONRBRGVWHBW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.68
Rot. Bonds2

About (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83227366) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83227366
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)C1CCCCCC1N
InChIInChI=1S/C15H28N2O/c1-3-12-10-9-11(2)17(12)15(18)13-7-5-4-6-8-14(13)16/h11-14H,3-10,16H2,1-2H3
InChIKeyXJGONRBRGVWHBW-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopentyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83228180
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227103
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218042
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 124739688

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83227366) is (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)C1CCCCCC1N.
What is the InChIKey of (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is XJGONRBRGVWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-12-10-9-11(2)17(12)15(18)13-7-5-4-6-8-14(13)16/h11-14H,3-10,16H2,1-2H3.
What are the key properties of (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83227366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).