2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine

C11H24N2O — CID 114802487

IUPAC2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
SMILESCOCCCCN1CCC(CCN)C1
InChIInChI=1S/C11H24N2O/c1-14-9-3-2-7-13-8-5-11(10-13)4-6-12/h11H,2-10,12H2,1H3
InChIKeyZJENDTGDNCWFTD-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds7

About 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine

2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802487) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
PubChem CID114802487
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
SMILESCOCCCCN1CCC(CCN)C1
InChIInChI=1S/C11H24N2O/c1-14-9-3-2-7-13-8-5-11(10-13)4-6-12/h11H,2-10,12H2,1H3
InChIKeyZJENDTGDNCWFTD-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
CID 146332106

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine (CID 114802487) is 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine is COCCCCN1CCC(CCN)C1.
What is the InChIKey of 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is ZJENDTGDNCWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-14-9-3-2-7-13-8-5-11(10-13)4-6-12/h11H,2-10,12H2,1H3.
What are the key properties of 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine?
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).