N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine

C13H22N2O2 — CID 79793851

IUPACN-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
SMILESCCCCOc1ccc(CNCCOC)nc1
InChIInChI=1S/C13H22N2O2/c1-3-4-8-17-13-6-5-12(15-11-13)10-14-7-9-16-2/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyFOYXSFVSLUEBBV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds9

About N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine

N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine (PubChem CID 79793851) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
PubChem CID79793851
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
SMILESCCCCOc1ccc(CNCCOC)nc1
InChIInChI=1S/C13H22N2O2/c1-3-4-8-17-13-6-5-12(15-11-13)10-14-7-9-16-2/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyFOYXSFVSLUEBBV-UHFFFAOYSA-N
XLogP2.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79789474
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789244
2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794391
2-methoxy-N-[[5-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789500
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476

Frequently Asked Questions

What is the IUPAC name of N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine (CID 79793851) is N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine is CCCCOc1ccc(CNCCOC)nc1.
What is the InChIKey of N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine?
The InChIKey is FOYXSFVSLUEBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-8-17-13-6-5-12(15-11-13)10-14-7-9-16-2/h5-6,11,14H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine?
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine has a molecular weight of 238.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79793851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).