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

C12H22N2O — CID 167500965

IUPAC(3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
SMILESCN1CC[C@@H](NC2CC23CCOCC3)C1
InChIInChI=1S/C12H22N2O/c1-14-5-2-10(9-14)13-11-8-12(11)3-6-15-7-4-12/h10-11,13H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyDOVURJZVXFEUTK-NFJWQWPMSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

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

(3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine (PubChem CID 167500965) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
PubChem CID167500965
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine
SMILESCN1CC[C@@H](NC2CC23CCOCC3)C1
InChIInChI=1S/C12H22N2O/c1-14-5-2-10(9-14)13-11-8-12(11)3-6-15-7-4-12/h10-11,13H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyDOVURJZVXFEUTK-NFJWQWPMSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine (CID 167500965) is (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine is CN1CC[C@@H](NC2CC23CCOCC3)C1.
What is the InChIKey of (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
The InChIKey is DOVURJZVXFEUTK-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-5-2-10(9-14)13-11-8-12(11)3-6-15-7-4-12/h10-11,13H,2-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine?
(3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-(6-oxaspiro[2.5]octan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167500965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).