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

C13H24N2O — CID 82718763

IUPAC[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CC2CCCC2C1
InChIInChI=1S/C13H24N2O/c1-10-13(9-14,5-6-16-10)15-7-11-3-2-4-12(11)8-15/h10-12H,2-9,14H2,1H3
InChIKeyMALFADWQRBBOGX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.22
Rot. Bonds2

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

[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine (PubChem CID 82718763) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine
PubChem CID82718763
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CC2CCCC2C1
InChIInChI=1S/C13H24N2O/c1-10-13(9-14,5-6-16-10)15-7-11-3-2-4-12(11)8-15/h10-12H,2-9,14H2,1H3
InChIKeyMALFADWQRBBOGX-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine (CID 82718763) is [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine is CC1OCCC1(CN)N1CC2CCCC2C1.
What is the InChIKey of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine?
The InChIKey is MALFADWQRBBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-13(9-14,5-6-16-10)15-7-11-3-2-4-12(11)8-15/h10-12H,2-9,14H2,1H3.
What are the key properties of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine?
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 82718763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).