2-(3-methoxypropyl)-1-pentylpyrrolidine

C13H27NO — CID 167067724

IUPAC2-(3-methoxypropyl)-1-pentylpyrrolidine
SMILESCCCCCN1CCCC1CCCOC
InChIInChI=1S/C13H27NO/c1-3-4-5-10-14-11-6-8-13(14)9-7-12-15-2/h13H,3-12H2,1-2H3
InChIKeyWGXTUZQFACBQJH-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds8

About 2-(3-methoxypropyl)-1-pentylpyrrolidine

2-(3-methoxypropyl)-1-pentylpyrrolidine (PubChem CID 167067724) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1-pentylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1-pentylpyrrolidine
PubChem CID167067724
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(3-methoxypropyl)-1-pentylpyrrolidine
SMILESCCCCCN1CCCC1CCCOC
InChIInChI=1S/C13H27NO/c1-3-4-5-10-14-11-6-8-13(14)9-7-12-15-2/h13H,3-12H2,1-2H3
InChIKeyWGXTUZQFACBQJH-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-1-pentylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
1-pentyl-2-propylpiperidine
CID 54429991
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
2-ethyl-1-undecylpyrrolidine
CID 171569857

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1-pentylpyrrolidine?
The IUPAC name of 2-(3-methoxypropyl)-1-pentylpyrrolidine (CID 167067724) is 2-(3-methoxypropyl)-1-pentylpyrrolidine.
What is the SMILES notation for 2-(3-methoxypropyl)-1-pentylpyrrolidine?
The canonical SMILES for 2-(3-methoxypropyl)-1-pentylpyrrolidine is CCCCCN1CCCC1CCCOC.
What is the InChIKey of 2-(3-methoxypropyl)-1-pentylpyrrolidine?
The InChIKey is WGXTUZQFACBQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-10-14-11-6-8-13(14)9-7-12-15-2/h13H,3-12H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-1-pentylpyrrolidine?
2-(3-methoxypropyl)-1-pentylpyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1-pentylpyrrolidine is sourced from PubChem (CID 167067724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).