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

C13H26N2 — CID 115562136

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-3-13(8-14-4-2)15-9-11-6-5-7-12(11)10-15/h11-14H,3-10H2,1-2H3
InChIKeyGWVBRZLBUFVZKV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds5

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine (PubChem CID 115562136) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine
PubChem CID115562136
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-3-13(8-14-4-2)15-9-11-6-5-7-12(11)10-15/h11-14H,3-10H2,1-2H3
InChIKeyGWVBRZLBUFVZKV-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine (CID 115562136) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine is CCNCC(CC)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine?
The InChIKey is GWVBRZLBUFVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-13(8-14-4-2)15-9-11-6-5-7-12(11)10-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 115562136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).