2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine

C11H22N2O — CID 106639503

IUPAC2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCCN1
InChIInChI=1S/C11H22N2O/c1-10(2)9-14-7-6-12-8-11-4-3-5-13-11/h11-13H,1,3-9H2,2H3
InChIKeyGDKCVVOXGSVGLJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.92
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106639503) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106639503
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCCN1
InChIInChI=1S/C11H22N2O/c1-10(2)9-14-7-6-12-8-11-4-3-5-13-11/h11-13H,1,3-9H2,2H3
InChIKeyGDKCVVOXGSVGLJ-UHFFFAOYSA-N
XLogP0.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
2-(3-Methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-(2-Methylidenebutoxymethyl)pyrrolidine
CID 66045266
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine
CID 106617524
N-(2-methoxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 106617525
N-(2-methoxyethyl)-2-methylidene-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106617725
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine
CID 106617735
2-(2-methylprop-2-enoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634499
2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine
CID 107900698
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 107912021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106639503) is 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine is C=C(C)COCCNCC1CCCN1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is GDKCVVOXGSVGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)9-14-7-6-12-8-11-4-3-5-13-11/h11-13H,1,3-9H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106639503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).