(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine

C10H20N2O — CID 164921938

IUPAC(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
SMILESCN/C=C/C1CC(COC)CN1C
InChIInChI=1S/C10H20N2O/c1-11-5-4-10-6-9(8-13-3)7-12(10)2/h4-5,9-11H,6-8H2,1-3H3/b5-4+
InChIKeyLHNFNKIPYRJVEI-SNAWJCMRSA-N
MW184.28 g/mol
LogP0.69
Rot. Bonds4

About (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine

(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine (PubChem CID 164921938) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine.

Molecular Properties

Compound Name(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
PubChem CID164921938
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
SMILESCN/C=C/C1CC(COC)CN1C
InChIInChI=1S/C10H20N2O/c1-11-5-4-10-6-9(8-13-3)7-12(10)2/h4-5,9-11H,6-8H2,1-3H3/b5-4+
InChIKeyLHNFNKIPYRJVEI-SNAWJCMRSA-N
XLogP0.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
CID 67683833
(1E,3Z)-2-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]hexa-1,3,5-trien-1-amine
CID 88968556
2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine
CID 164922064

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
The IUPAC name of (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine (CID 164921938) is (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine.
What is the SMILES notation for (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
The canonical SMILES for (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine is CN/C=C/C1CC(COC)CN1C.
What is the InChIKey of (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
The InChIKey is LHNFNKIPYRJVEI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-5-4-10-6-9(8-13-3)7-12(10)2/h4-5,9-11H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine has a molecular weight of 184.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine is sourced from PubChem (CID 164921938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).