1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine

C12H26N2O — CID 83220245

IUPAC1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine
SMILESCCC1CCC(C)N1CC(N)CCOC
InChIInChI=1S/C12H26N2O/c1-4-12-6-5-10(2)14(12)9-11(13)7-8-15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyUGAGLXWGUGEJHO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine

1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine (PubChem CID 83220245) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine
PubChem CID83220245
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine
SMILESCCC1CCC(C)N1CC(N)CCOC
InChIInChI=1S/C12H26N2O/c1-4-12-6-5-10(2)14(12)9-11(13)7-8-15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyUGAGLXWGUGEJHO-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine (CID 83220245) is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine is CCC1CCC(C)N1CC(N)CCOC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine?
The InChIKey is UGAGLXWGUGEJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12-6-5-10(2)14(12)9-11(13)7-8-15-3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine?
1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 83220245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).