1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine

C12H25NO — CID 146334856

IUPAC1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESC[C@@H](COC(C)(C)C)CN1CCCC1
InChIInChI=1S/C12H25NO/c1-11(10-14-12(2,3)4)9-13-7-5-6-8-13/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyPRGORGMHHPHTIR-LLVKDONJSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds4

About 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine

1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (PubChem CID 146334856) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
PubChem CID146334856
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESC[C@@H](COC(C)(C)C)CN1CCCC1
InChIInChI=1S/C12H25NO/c1-11(10-14-12(2,3)4)9-13-7-5-6-8-13/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyPRGORGMHHPHTIR-LLVKDONJSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The IUPAC name of 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (CID 146334856) is 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The canonical SMILES for 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is C[C@@H](COC(C)(C)C)CN1CCCC1.
What is the InChIKey of 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The InChIKey is PRGORGMHHPHTIR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(10-14-12(2,3)4)9-13-7-5-6-8-13/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is sourced from PubChem (CID 146334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).