(2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine

C11H23NO — CID 59148130

IUPAC(2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCC(C)OCCCN1CCC[C@H]1C
InChIInChI=1S/C11H23NO/c1-10(2)13-9-5-8-12-7-4-6-11(12)3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGBBRQRHCOJJWMK-LLVKDONJSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds5

About (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine

(2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine (PubChem CID 59148130) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine
PubChem CID59148130
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCC(C)OCCCN1CCC[C@H]1C
InChIInChI=1S/C11H23NO/c1-10(2)13-9-5-8-12-7-4-6-11(12)3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGBBRQRHCOJJWMK-LLVKDONJSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
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 (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine?
The IUPAC name of (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine (CID 59148130) is (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine is CC(C)OCCCN1CCC[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine?
The InChIKey is GBBRQRHCOJJWMK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)13-9-5-8-12-7-4-6-11(12)3/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine?
(2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(3-propan-2-yloxypropyl)pyrrolidine is sourced from PubChem (CID 59148130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).