N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)

C21H27F6N3O5 — CID 155830684

IUPACN-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(NC[C@H]2CO[C@@H]3CN(C4CCCC4)C[C@H]23)nc1
InChIInChI=1S/C17H25N3O.2C2HF3O2/c1-2-6-14(5-1)20-10-15-13(12-21-16(15)11-20)9-19-17-7-3-4-8-18-17;2*3-2(4,5)1(6)7/h3-4,7-8,13-16H,1-2,5-6,9-12H2,(H,18,19);2*(H,6,7)/t13-,15+,16+;;/m0../s1
InChIKeyHPIMQMDANVDMMX-IZQURSCRSA-N
MW515.45 g/mol
LogP3.65
Rot. Bonds4

About N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)

N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155830684) has the molecular formula C21H27F6N3O5 and a molecular weight of 515.45 g/mol. Its IUPAC name is N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155830684
Molecular FormulaC21H27F6N3O5
Molecular Weight515.45 g/mol
Exact Mass515.19
IUPAC NameN-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(NC[C@H]2CO[C@@H]3CN(C4CCCC4)C[C@H]23)nc1
InChIInChI=1S/C17H25N3O.2C2HF3O2/c1-2-6-14(5-1)20-10-15-13(12-21-16(15)11-20)9-19-17-7-3-4-8-18-17;2*3-2(4,5)1(6)7/h3-4,7-8,13-16H,1-2,5-6,9-12H2,(H,18,19);2*(H,6,7)/t13-,15+,16+;;/m0../s1
InChIKeyHPIMQMDANVDMMX-IZQURSCRSA-N
XLogP3.65
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 155830684) is N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(NC[C@H]2CO[C@@H]3CN(C4CCCC4)C[C@H]23)nc1.
What is the InChIKey of N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is HPIMQMDANVDMMX-IZQURSCRSA-N. The full InChI is InChI=1S/C17H25N3O.2C2HF3O2/c1-2-6-14(5-1)20-10-15-13(12-21-16(15)11-20)9-19-17-7-3-4-8-18-17;2*3-2(4,5)1(6)7/h3-4,7-8,13-16H,1-2,5-6,9-12H2,(H,18,19);2*(H,6,7)/t13-,15+,16+;;/m0../s1.
What are the key properties of N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?
N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 515.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155830684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).