(3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C13H24N2O — CID 138578356

IUPAC(3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESNC1CC2CN(CC3CCCOC3)C[C@@H]2C1
InChIInChI=1S/C13H24N2O/c14-13-4-11-7-15(8-12(11)5-13)6-10-2-1-3-16-9-10/h10-13H,1-9,14H2/t10?,11-,12?,13?/m0/s1
InChIKeyYDDWPFYARMOVHX-ZNOXQBFJSA-N
MW224.35 g/mol
LogP1.08
Rot. Bonds2

About (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 138578356) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID138578356
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESNC1CC2CN(CC3CCCOC3)C[C@@H]2C1
InChIInChI=1S/C13H24N2O/c14-13-4-11-7-15(8-12(11)5-13)6-10-2-1-3-16-9-10/h10-13H,1-9,14H2/t10?,11-,12?,13?/m0/s1
InChIKeyYDDWPFYARMOVHX-ZNOXQBFJSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 138578356) is (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is NC1CC2CN(CC3CCCOC3)C[C@@H]2C1.
What is the InChIKey of (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is YDDWPFYARMOVHX-ZNOXQBFJSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13-4-11-7-15(8-12(11)5-13)6-10-2-1-3-16-9-10/h10-13H,1-9,14H2/t10?,11-,12?,13?/m0/s1.
What are the key properties of (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 224.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 138578356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).