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

C11H19F3N2 — CID 102894544

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1NCC2CCCC21
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-5-15-7-10-9-3-1-2-8(9)6-16-10/h8-10,15-16H,1-7H2
InChIKeyMGUBFHRLHPMSEK-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.92
Rot. Bonds4

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

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 102894544) 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)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID102894544
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)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1NCC2CCCC21
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-5-15-7-10-9-3-1-2-8(9)6-16-10/h8-10,15-16H,1-7H2
InChIKeyMGUBFHRLHPMSEK-UHFFFAOYSA-N
XLogP1.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine (CID 102894544) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MGUBFHRLHPMSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)4-5-15-7-10-9-3-1-2-8(9)6-16-10/h8-10,15-16H,1-7H2.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 1.92, 4 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)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 102894544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).