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

C13H24N2O — CID 82837636

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESNCC(C1CCCO1)N1CC2CCCC2C1
InChIInChI=1S/C13H24N2O/c14-7-12(13-5-2-6-16-13)15-8-10-3-1-4-11(10)9-15/h10-13H,1-9,14H2
InChIKeyNSFPNPQHMASTGR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.22
Rot. Bonds3

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 82837636) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID82837636
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESNCC(C1CCCO1)N1CC2CCCC2C1
InChIInChI=1S/C13H24N2O/c14-7-12(13-5-2-6-16-13)15-8-10-3-1-4-11(10)9-15/h10-13H,1-9,14H2
InChIKeyNSFPNPQHMASTGR-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine (CID 82837636) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine is NCC(C1CCCO1)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is NSFPNPQHMASTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-7-12(13-5-2-6-16-13)15-8-10-3-1-4-11(10)9-15/h10-13H,1-9,14H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 82837636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).