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

C13H23F3N2 — CID 102894681

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1NCC2CCCC21
InChIInChI=1S/C13H23F3N2/c14-13(15,16)6-1-2-7-17-9-12-11-5-3-4-10(11)8-18-12/h10-12,17-18H,1-9H2
InChIKeyDMWARLSADSIPEM-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.70
Rot. Bonds6

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

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 102894681) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine
PubChem CID102894681
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1NCC2CCCC21
InChIInChI=1S/C13H23F3N2/c14-13(15,16)6-1-2-7-17-9-12-11-5-3-4-10(11)8-18-12/h10-12,17-18H,1-9H2
InChIKeyDMWARLSADSIPEM-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 54064885
cis-4,4-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283149
cis-5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283150
(2S,3aS,6aS)-2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 67749590
4,4-Difluoro-octahydrocyclopenta[c]pyrrole
CID 71756392
5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 76223433
5-(Difluoromethyl)-octahydrocyclopenta[c]pyrrole
CID 84716781
(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 89257459
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 139315725
(3aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 143016320
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane
CID 160623401

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine (CID 102894681) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is DMWARLSADSIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)6-1-2-7-17-9-12-11-5-3-4-10(11)8-18-12/h10-12,17-18H,1-9H2.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 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)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 102894681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).