(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

C14H26N2O — CID 176741428

IUPAC(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@@H](NC2CC23CCOCC3)C1
InChIInChI=1S/C14H26N2O/c1-11(2)16-6-3-12(10-16)15-13-9-14(13)4-7-17-8-5-14/h11-13,15H,3-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyJPJLXDDWTJAAPB-PZORYLMUSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

About (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 176741428) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID176741428
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@@H](NC2CC23CCOCC3)C1
InChIInChI=1S/C14H26N2O/c1-11(2)16-6-3-12(10-16)15-13-9-14(13)4-7-17-8-5-14/h11-13,15H,3-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyJPJLXDDWTJAAPB-PZORYLMUSA-N
XLogP1.63
TPSA24.50 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (CID 176741428) is (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CC[C@@H](NC2CC23CCOCC3)C1.
What is the InChIKey of (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is JPJLXDDWTJAAPB-PZORYLMUSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)16-6-3-12(10-16)15-13-9-14(13)4-7-17-8-5-14/h11-13,15H,3-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
(3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-oxaspiro[2.5]octan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 176741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).