N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine

C12H21F3N2 — CID 65322155

IUPACN-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCN1CCCC2CCCC21
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-16-6-8-17-7-2-4-10-3-1-5-11(10)17/h10-11,16H,1-9H2
InChIKeyWKXVGSPSXLSWIF-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 65322155) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID65322155
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCN1CCCC2CCCC21
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-16-6-8-17-7-2-4-10-3-1-5-11(10)17/h10-11,16H,1-9H2
InChIKeyWKXVGSPSXLSWIF-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 65322155) is N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCN1CCCC2CCCC21.
What is the InChIKey of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is WKXVGSPSXLSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)9-16-6-8-17-7-2-4-10-3-1-5-11(10)17/h10-11,16H,1-9H2.
What are the key properties of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 65322155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).