2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine

C11H24N2O — CID 121202779

IUPAC2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine
SMILESCCOCC1CN(CCN)CC1(C)C
InChIInChI=1S/C11H24N2O/c1-4-14-8-10-7-13(6-5-12)9-11(10,2)3/h10H,4-9,12H2,1-3H3
InChIKeyLMPBQVVEXOHSNO-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine

2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine (PubChem CID 121202779) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine
PubChem CID121202779
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine
SMILESCCOCC1CN(CCN)CC1(C)C
InChIInChI=1S/C11H24N2O/c1-4-14-8-10-7-13(6-5-12)9-11(10,2)3/h10H,4-9,12H2,1-3H3
InChIKeyLMPBQVVEXOHSNO-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine (CID 121202779) is 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine is CCOCC1CN(CCN)CC1(C)C.
What is the InChIKey of 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine?
The InChIKey is LMPBQVVEXOHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-14-8-10-7-13(6-5-12)9-11(10,2)3/h10H,4-9,12H2,1-3H3.
What are the key properties of 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine?
2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine has a molecular weight of 200.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 121202779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).