1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine

C14H21N3 — CID 83127327

IUPAC1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(N2CC3CCCC3C2)cn1
InChIInChI=1S/C14H21N3/c1-10(15)14-6-5-13(7-16-14)17-8-11-3-2-4-12(11)9-17/h5-7,10-12H,2-4,8-9,15H2,1H3
InChIKeyXEMPVXJDTKEATB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.34
Rot. Bonds2

About 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine

1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine (PubChem CID 83127327) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
PubChem CID83127327
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(N2CC3CCCC3C2)cn1
InChIInChI=1S/C14H21N3/c1-10(15)14-6-5-13(7-16-14)17-8-11-3-2-4-12(11)9-17/h5-7,10-12H,2-4,8-9,15H2,1H3
InChIKeyXEMPVXJDTKEATB-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine (CID 83127327) is 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine is CC(N)c1ccc(N2CC3CCCC3C2)cn1.
What is the InChIKey of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine?
The InChIKey is XEMPVXJDTKEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(15)14-6-5-13(7-16-14)17-8-11-3-2-4-12(11)9-17/h5-7,10-12H,2-4,8-9,15H2,1H3.
What are the key properties of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine?
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).