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

C16H27N3O2 — CID 80638789

IUPAC2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1cnc(N2CCC(COC)C2)c(C)c1
InChIInChI=1S/C16H27N3O2/c1-13-8-15(9-17-5-7-20-2)10-18-16(13)19-6-4-14(11-19)12-21-3/h8,10,14,17H,4-7,9,11-12H2,1-3H3
InChIKeyCBTCTRUJGYAVRQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.60
Rot. Bonds8

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

2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80638789) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID80638789
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1cnc(N2CCC(COC)C2)c(C)c1
InChIInChI=1S/C16H27N3O2/c1-13-8-15(9-17-5-7-20-2)10-18-16(13)19-6-4-14(11-19)12-21-3/h8,10,14,17H,4-7,9,11-12H2,1-3H3
InChIKeyCBTCTRUJGYAVRQ-UHFFFAOYSA-N
XLogP1.60
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine (CID 80638789) is 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine is COCCNCc1cnc(N2CCC(COC)C2)c(C)c1.
What is the InChIKey of 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is CBTCTRUJGYAVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-8-15(9-17-5-7-20-2)10-18-16(13)19-6-4-14(11-19)12-21-3/h8,10,14,17H,4-7,9,11-12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80638789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).