1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

C14H23NO — CID 116580084

IUPAC1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESNC1CCCC1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H23NO/c15-13-3-1-2-12(13)14(16)8-11-7-9-4-5-10(11)6-9/h9-13H,1-8,15H2
InChIKeyLINXQPDRJRFOSJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 116580084) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID116580084
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESNC1CCCC1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H23NO/c15-13-3-1-2-12(13)14(16)8-11-7-9-4-5-10(11)6-9/h9-13H,1-8,15H2
InChIKeyLINXQPDRJRFOSJ-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116575895
2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethanone
CID 80596174
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561305
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 116580084) is 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone is NC1CCCC1C(=O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is LINXQPDRJRFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c15-13-3-1-2-12(13)14(16)8-11-7-9-4-5-10(11)6-9/h9-13H,1-8,15H2.
What are the key properties of 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 221.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 116580084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).