1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine

C11H24N2O2 — CID 120854725

IUPAC1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCOCCOC1CCN(CC(C)(C)N)C1
InChIInChI=1S/C11H24N2O2/c1-11(2,12)9-13-5-4-10(8-13)15-7-6-14-3/h10H,4-9,12H2,1-3H3
InChIKeyZEPZAFULYJRYCG-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds6

About 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine

1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine (PubChem CID 120854725) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine
PubChem CID120854725
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine
SMILESCOCCOC1CCN(CC(C)(C)N)C1
InChIInChI=1S/C11H24N2O2/c1-11(2,12)9-13-5-4-10(8-13)15-7-6-14-3/h10H,4-9,12H2,1-3H3
InChIKeyZEPZAFULYJRYCG-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine (CID 120854725) is 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine is COCCOC1CCN(CC(C)(C)N)C1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine?
The InChIKey is ZEPZAFULYJRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,12)9-13-5-4-10(8-13)15-7-6-14-3/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine?
1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 120854725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).