2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine

C17H29N3O — CID 80636876

IUPAC2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1cnc(N2CCCC2C(C)C)c(C)c1
InChIInChI=1S/C17H29N3O/c1-13(2)16-6-5-8-20(16)17-14(3)10-15(12-19-17)11-18-7-9-21-4/h10,12-13,16,18H,5-9,11H2,1-4H3
InChIKeyDZGVVKOVGLGJCB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds7

About 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine

2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 80636876) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID80636876
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1cnc(N2CCCC2C(C)C)c(C)c1
InChIInChI=1S/C17H29N3O/c1-13(2)16-6-5-8-20(16)17-14(3)10-15(12-19-17)11-18-7-9-21-4/h10,12-13,16,18H,5-9,11H2,1-4H3
InChIKeyDZGVVKOVGLGJCB-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80629363
2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80638789
1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80630801
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
CID 80631236
N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 102961607
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 80636876) is 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine is COCCNCc1cnc(N2CCCC2C(C)C)c(C)c1.
What is the InChIKey of 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DZGVVKOVGLGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)16-6-5-8-20(16)17-14(3)10-15(12-19-17)11-18-7-9-21-4/h10,12-13,16,18H,5-9,11H2,1-4H3.
What are the key properties of 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80636876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).