N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine

C14H22N2O2 — CID 79158142

IUPACN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
SMILESC=CCCOc1ccc(C)nc1CNCCOC
InChIInChI=1S/C14H22N2O2/c1-4-5-9-18-14-7-6-12(2)16-13(14)11-15-8-10-17-3/h4,6-7,15H,1,5,8-11H2,2-3H3
InChIKeyOXOVYXVBGIMXSS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds9

About N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine

N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine (PubChem CID 79158142) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
PubChem CID79158142
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
SMILESC=CCCOc1ccc(C)nc1CNCCOC
InChIInChI=1S/C14H22N2O2/c1-4-5-9-18-14-7-6-12(2)16-13(14)11-15-8-10-17-3/h4,6-7,15H,1,5,8-11H2,2-3H3
InChIKeyOXOVYXVBGIMXSS-UHFFFAOYSA-N
XLogP2.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79156818
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79158985
2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79158981
2-methoxy-N-[[6-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79156826
2-methoxy-N-[[6-methyl-3-[(1-methylpyrazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 82866668
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377

Frequently Asked Questions

What is the IUPAC name of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine (CID 79158142) is N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine is C=CCCOc1ccc(C)nc1CNCCOC.
What is the InChIKey of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine?
The InChIKey is OXOVYXVBGIMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-9-18-14-7-6-12(2)16-13(14)11-15-8-10-17-3/h4,6-7,15H,1,5,8-11H2,2-3H3.
What are the key properties of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine?
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine has a molecular weight of 250.34 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79158142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).