1-(3-methoxypropyl)pyrrolidin-1-ium

C8H18NO+ — CID 59375929

IUPAC1-(3-methoxypropyl)pyrrolidin-1-ium
SMILESCOCCC[NH+]1CCCC1
InChIInChI=1S/C8H17NO/c1-10-8-4-7-9-5-2-3-6-9/h2-8H2,1H3/p+1
InChIKeyYYDBCFVUKPZQAM-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.30
Rot. Bonds4

About 1-(3-methoxypropyl)pyrrolidin-1-ium

1-(3-methoxypropyl)pyrrolidin-1-ium (PubChem CID 59375929) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(3-methoxypropyl)pyrrolidin-1-ium
PubChem CID59375929
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name1-(3-methoxypropyl)pyrrolidin-1-ium
SMILESCOCCC[NH+]1CCCC1
InChIInChI=1S/C8H17NO/c1-10-8-4-7-9-5-2-3-6-9/h2-8H2,1H3/p+1
InChIKeyYYDBCFVUKPZQAM-UHFFFAOYSA-O
XLogP-0.30
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
1-(3-Methoxypropyl)pyrrolidine
CID 18727525
N-(3-propoxypropyl)butan-1-amine
CID 22381296
N-(3-ethoxypropyl)butan-1-amine
CID 28487356
Butyl(3-methoxypropyl)amine
CID 28674141
N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine
CID 55209777
(3R)-1-methanidyl-3-propoxypyrrolidin-1-ium
CID 57868312
1-(3-Methoxypropyl)-1-methylpyrrolidin-1-ium
CID 58400622
1-(2-Methoxyethyl)pyrrolidin-1-ium
CID 59375925
3-methoxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60684468
3-ethoxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60689640
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60691309

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)pyrrolidin-1-ium?
The IUPAC name of 1-(3-methoxypropyl)pyrrolidin-1-ium (CID 59375929) is 1-(3-methoxypropyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(3-methoxypropyl)pyrrolidin-1-ium?
The canonical SMILES for 1-(3-methoxypropyl)pyrrolidin-1-ium is COCCC[NH+]1CCCC1.
What is the InChIKey of 1-(3-methoxypropyl)pyrrolidin-1-ium?
The InChIKey is YYDBCFVUKPZQAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-10-8-4-7-9-5-2-3-6-9/h2-8H2,1H3/p+1.
What are the key properties of 1-(3-methoxypropyl)pyrrolidin-1-ium?
1-(3-methoxypropyl)pyrrolidin-1-ium has a molecular weight of 144.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)pyrrolidin-1-ium is sourced from PubChem (CID 59375929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).