1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine

C13H20N2O — CID 106202201

IUPAC1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccnc(OCCC2CC2)c1
InChIInChI=1S/C13H20N2O/c1-10(14-2)12-5-7-15-13(9-12)16-8-6-11-3-4-11/h5,7,9-11,14H,3-4,6,8H2,1-2H3
InChIKeyLNAKMHLKGFUVPS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.54
Rot. Bonds6

About 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine

1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine (PubChem CID 106202201) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine
PubChem CID106202201
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccnc(OCCC2CC2)c1
InChIInChI=1S/C13H20N2O/c1-10(14-2)12-5-7-15-13(9-12)16-8-6-11-3-4-11/h5,7,9-11,14H,3-4,6,8H2,1-2H3
InChIKeyLNAKMHLKGFUVPS-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine (CID 106202201) is 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine is CNC(C)c1ccnc(OCCC2CC2)c1.
What is the InChIKey of 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine?
The InChIKey is LNAKMHLKGFUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(14-2)12-5-7-15-13(9-12)16-8-6-11-3-4-11/h5,7,9-11,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine?
1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 106202201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).