N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine

C9H20N2O — CID 103532306

IUPACN-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCCNCCN1CCC(OC)C1
InChIInChI=1S/C9H20N2O/c1-3-10-5-7-11-6-4-9(8-11)12-2/h9-10H,3-8H2,1-2H3
InChIKeyAFRZSMOFXBCQCA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

About N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine

N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine (PubChem CID 103532306) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
PubChem CID103532306
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCCNCCN1CCC(OC)C1
InChIInChI=1S/C9H20N2O/c1-3-10-5-7-11-6-4-9(8-11)12-2/h9-10H,3-8H2,1-2H3
InChIKeyAFRZSMOFXBCQCA-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
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

N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]prop-2-yn-1-amine
CID 103534621
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
CID 103540061
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
CID 105346947
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine (CID 103532306) is N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine is CCNCCN1CCC(OC)C1.
What is the InChIKey of N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The InChIKey is AFRZSMOFXBCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-10-5-7-11-6-4-9(8-11)12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine?
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103532306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).