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

C14H26N2O — CID 82837635

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(CN)N2CC3CCCC3C2)O1
InChIInChI=1S/C14H26N2O/c1-10-5-6-14(17-10)13(7-15)16-8-11-3-2-4-12(11)9-16/h10-14H,2-9,15H2,1H3
InChIKeyIVKPLRXQCVRYBC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.61
Rot. Bonds3

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine (PubChem CID 82837635) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
PubChem CID82837635
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(CN)N2CC3CCCC3C2)O1
InChIInChI=1S/C14H26N2O/c1-10-5-6-14(17-10)13(7-15)16-8-11-3-2-4-12(11)9-16/h10-14H,2-9,15H2,1H3
InChIKeyIVKPLRXQCVRYBC-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.61
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-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine (CID 82837635) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine is CC1CCC(C(CN)N2CC3CCCC3C2)O1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is IVKPLRXQCVRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-5-6-14(17-10)13(7-15)16-8-11-3-2-4-12(11)9-16/h10-14H,2-9,15H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 238.37 g/mol, XLogP of 1.61, 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-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 82837635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).