N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine

C13H28N2O — CID 134606140

IUPACN-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine
SMILESCCN(C)CC(C)N1C(C)CCC1COC
InChIInChI=1S/C13H28N2O/c1-6-14(4)9-12(3)15-11(2)7-8-13(15)10-16-5/h11-13H,6-10H2,1-5H3
InChIKeyOWENGGYVCSLOFF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds6

About N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine

N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine (PubChem CID 134606140) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine
PubChem CID134606140
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine
SMILESCCN(C)CC(C)N1C(C)CCC1COC
InChIInChI=1S/C13H28N2O/c1-6-14(4)9-12(3)15-11(2)7-8-13(15)10-16-5/h11-13H,6-10H2,1-5H3
InChIKeyOWENGGYVCSLOFF-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine (CID 134606140) is N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine is CCN(C)CC(C)N1C(C)CCC1COC.
What is the InChIKey of N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine?
The InChIKey is OWENGGYVCSLOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-14(4)9-12(3)15-11(2)7-8-13(15)10-16-5/h11-13H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine?
N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 134606140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).