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

C11H19F3N2 — CID 65319109

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCCC2CCCC21)C(F)(F)F
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10(7-15)16-6-2-4-8-3-1-5-9(8)16/h8-10H,1-7,15H2
InChIKeyMUDNEQZGKJNWHT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.14
Rot. Bonds2

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

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 65319109) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID65319109
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCCC2CCCC21)C(F)(F)F
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10(7-15)16-6-2-4-8-3-1-5-9(8)16/h8-10H,1-7,15H2
InChIKeyMUDNEQZGKJNWHT-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine (CID 65319109) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CCCC2CCCC21)C(F)(F)F.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MUDNEQZGKJNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)10(7-15)16-6-2-4-8-3-1-5-9(8)16/h8-10H,1-7,15H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.14, 2 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)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 65319109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).