3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine

C18H30N2 — CID 83221696

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCCC1CCC(C)N1CCC(NC)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-5-17-11-8-15(3)20(17)13-12-18(19-4)16-9-6-14(2)7-10-16/h6-7,9-10,15,17-19H,5,8,11-13H2,1-4H3
InChIKeyFLBAHSOSPXJROE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine

3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 83221696) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
PubChem CID83221696
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCCC1CCC(C)N1CCC(NC)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-5-17-11-8-15(3)20(17)13-12-18(19-4)16-9-6-14(2)7-10-16/h6-7,9-10,15,17-19H,5,8,11-13H2,1-4H3
InChIKeyFLBAHSOSPXJROE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine (CID 83221696) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine is CCC1CCC(C)N1CCC(NC)c1ccc(C)cc1.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is FLBAHSOSPXJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-17-11-8-15(3)20(17)13-12-18(19-4)16-9-6-14(2)7-10-16/h6-7,9-10,15,17-19H,5,8,11-13H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine?
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 83221696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).