N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

C11H19F3N2 — CID 102894302

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1NCC2CCCC21)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-16(7-11(12,13)14)6-10-9-4-2-3-8(9)5-15-10/h8-10,15H,2-7H2,1H3
InChIKeyGGCDFJSPVOMBKV-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 102894302) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID102894302
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1NCC2CCCC21)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-16(7-11(12,13)14)6-10-9-4-2-3-8(9)5-15-10/h8-10,15H,2-7H2,1H3
InChIKeyGGCDFJSPVOMBKV-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (CID 102894302) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is CN(CC1NCC2CCCC21)CC(F)(F)F.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is GGCDFJSPVOMBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-16(7-11(12,13)14)6-10-9-4-2-3-8(9)5-15-10/h8-10,15H,2-7H2,1H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 236.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 102894302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).