1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine

C14H23N3 — CID 83221471

IUPAC1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCC1CCC(C)N1c1cc(CNC)ccn1
InChIInChI=1S/C14H23N3/c1-4-13-6-5-11(2)17(13)14-9-12(10-15-3)7-8-16-14/h7-9,11,13,15H,4-6,10H2,1-3H3
InChIKeyOXTUBNVHWSWLSX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 83221471) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID83221471
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCC1CCC(C)N1c1cc(CNC)ccn1
InChIInChI=1S/C14H23N3/c1-4-13-6-5-11(2)17(13)14-9-12(10-15-3)7-8-16-14/h7-9,11,13,15H,4-6,10H2,1-3H3
InChIKeyOXTUBNVHWSWLSX-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 83221471) is 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine is CCC1CCC(C)N1c1cc(CNC)ccn1.
What is the InChIKey of 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is OXTUBNVHWSWLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-13-6-5-11(2)17(13)14-9-12(10-15-3)7-8-16-14/h7-9,11,13,15H,4-6,10H2,1-3H3.
What are the key properties of 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 83221471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).