N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine

C9H20N2O2 — CID 79741587

IUPACN-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
SMILESCOCCOCCNC1CCNC1
InChIInChI=1S/C9H20N2O2/c1-12-6-7-13-5-4-11-9-2-3-10-8-9/h9-11H,2-8H2,1H3
InChIKeyRJHFPAXYSUKNBX-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.40
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine

N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine (PubChem CID 79741587) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
PubChem CID79741587
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
SMILESCOCCOCCNC1CCNC1
InChIInChI=1S/C9H20N2O2/c1-12-6-7-13-5-4-11-9-2-3-10-8-9/h9-11H,2-8H2,1H3
InChIKeyRJHFPAXYSUKNBX-UHFFFAOYSA-N
XLogP-0.40
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689
N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine
CID 79741223
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-3-amine
CID 103882786
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine
CID 70234735
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-(3-propoxypropyl)piperidin-3-amine
CID 82939747
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine (CID 79741587) is N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine is COCCOCCNC1CCNC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is RJHFPAXYSUKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-6-7-13-5-4-11-9-2-3-10-8-9/h9-11H,2-8H2,1H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine?
N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 188.27 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 79741587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).