(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine

C10H21NO — CID 89113469

IUPAC(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine
SMILESCOCCCN1[C@H](C)CC[C@H]1C
InChIInChI=1S/C10H21NO/c1-9-5-6-10(2)11(9)7-4-8-12-3/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyGAMFQGYUPOJSHF-NXEZZACHSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds4

About (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine

(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine (PubChem CID 89113469) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine
PubChem CID89113469
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine
SMILESCOCCCN1[C@H](C)CC[C@H]1C
InChIInChI=1S/C10H21NO/c1-9-5-6-10(2)11(9)7-4-8-12-3/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyGAMFQGYUPOJSHF-NXEZZACHSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
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,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine?
The IUPAC name of (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine (CID 89113469) is (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine?
The canonical SMILES for (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine is COCCCN1[C@H](C)CC[C@H]1C.
What is the InChIKey of (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine?
The InChIKey is GAMFQGYUPOJSHF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-9-5-6-10(2)11(9)7-4-8-12-3/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine?
(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 89113469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).