N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine

C17H23FN2 — CID 115560640

IUPACN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(N2CC3CCCC3C2)c(CNC2CC2)c1
InChIInChI=1S/C17H23FN2/c18-15-4-7-17(14(8-15)9-19-16-5-6-16)20-10-12-2-1-3-13(12)11-20/h4,7-8,12-13,16,19H,1-3,5-6,9-11H2
InChIKeyAGPPNAWKLKJFGH-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.31
Rot. Bonds4

About N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 115560640) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID115560640
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(N2CC3CCCC3C2)c(CNC2CC2)c1
InChIInChI=1S/C17H23FN2/c18-15-4-7-17(14(8-15)9-19-16-5-6-16)20-10-12-2-1-3-13(12)11-20/h4,7-8,12-13,16,19H,1-3,5-6,9-11H2
InChIKeyAGPPNAWKLKJFGH-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine 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-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine (CID 115560640) is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(N2CC3CCCC3C2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is AGPPNAWKLKJFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c18-15-4-7-17(14(8-15)9-19-16-5-6-16)20-10-12-2-1-3-13(12)11-20/h4,7-8,12-13,16,19H,1-3,5-6,9-11H2.
What are the key properties of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 274.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115560640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).