8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H25N3O2 — CID 80638259

IUPAC8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCNCc1ccc(N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C16H25N3O2/c1-21-7-6-17-10-12-2-5-16(18-11-12)19-13-3-4-14(19)9-15(20)8-13/h2,5,11,13-15,17,20H,3-4,6-10H2,1H3
InChIKeyGQLQCFVBWWLOHN-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.31
Rot. Bonds6

About 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80638259) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80638259
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCNCc1ccc(N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C16H25N3O2/c1-21-7-6-17-10-12-2-5-16(18-11-12)19-13-3-4-14(19)9-15(20)8-13/h2,5,11,13-15,17,20H,3-4,6-10H2,1H3
InChIKeyGQLQCFVBWWLOHN-UHFFFAOYSA-N
XLogP1.31
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[5-(methylaminomethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80636229
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
CID 80629858
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80635766

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80638259) is 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is COCCNCc1ccc(N2C3CCC2CC(O)C3)nc1.
What is the InChIKey of 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GQLQCFVBWWLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-7-6-17-10-12-2-5-16(18-11-12)19-13-3-4-14(19)9-15(20)8-13/h2,5,11,13-15,17,20H,3-4,6-10H2,1H3.
What are the key properties of 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 291.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80638259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).