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

C12H25NO — CID 146334915

IUPAC(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESCN1CCC[C@H]1CCCOC(C)(C)C
InChIInChI=1S/C12H25NO/c1-12(2,3)14-10-6-8-11-7-5-9-13(11)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyPORDYYCVKIUWSI-NSHDSACASA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds4

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

(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (PubChem CID 146334915) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
PubChem CID146334915
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESCN1CCC[C@H]1CCCOC(C)(C)C
InChIInChI=1S/C12H25NO/c1-12(2,3)14-10-6-8-11-7-5-9-13(11)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyPORDYYCVKIUWSI-NSHDSACASA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (CID 146334915) is (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is CN1CCC[C@H]1CCCOC(C)(C)C.
What is the InChIKey of (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The InChIKey is PORDYYCVKIUWSI-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)14-10-6-8-11-7-5-9-13(11)4/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is sourced from PubChem (CID 146334915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).