1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine

C12H26N2O2 — CID 66223207

IUPAC1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC(OC)OC)C1
InChIInChI=1S/C12H26N2O2/c1-5-14(6-2)11-7-8-13(9-11)10-12(15-3)16-4/h11-12H,5-10H2,1-4H3
InChIKeyOUXZEEAPLCHNCU-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.02
Rot. Bonds7

About 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine

1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 66223207) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID66223207
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC(OC)OC)C1
InChIInChI=1S/C12H26N2O2/c1-5-14(6-2)11-7-8-13(9-11)10-12(15-3)16-4/h11-12H,5-10H2,1-4H3
InChIKeyOUXZEEAPLCHNCU-UHFFFAOYSA-N
XLogP1.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine (CID 66223207) is 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CC(OC)OC)C1.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is OUXZEEAPLCHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-14(6-2)11-7-8-13(9-11)10-12(15-3)16-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine?
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 230.35 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 66223207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).