2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine

C13H23F3N2 — CID 65319020

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCCC2CCCC21)C(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-2-10(17)12(13(14,15)16)18-8-4-6-9-5-3-7-11(9)18/h9-12H,2-8,17H2,1H3
InChIKeyUGVHMNDTHQNLHZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 65319020) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID65319020
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCCC2CCCC21)C(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-2-10(17)12(13(14,15)16)18-8-4-6-9-5-3-7-11(9)18/h9-12H,2-8,17H2,1H3
InChIKeyUGVHMNDTHQNLHZ-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine with MolForge

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Related Compounds

1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355
1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103505235
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide
CID 65320528
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 102725549
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102728580
ethyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
CID 65320107
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanenitrile
CID 55207107
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 65322079
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)heptan-1-amine
CID 65319223

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine (CID 65319020) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CCCC2CCCC21)C(F)(F)F.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is UGVHMNDTHQNLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-10(17)12(13(14,15)16)18-8-4-6-9-5-3-7-11(9)18/h9-12H,2-8,17H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 264.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 65319020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).