2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine

C12H22N4O2 — CID 66205617

IUPAC2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CC2CCOCC2)nn1
InChIInChI=1S/C12H22N4O2/c1-17-7-4-13-8-12-10-16(15-14-12)9-11-2-5-18-6-3-11/h10-11,13H,2-9H2,1H3
InChIKeyUZKLWNLEWNPLAC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.44
Rot. Bonds7

About 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66205617) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
PubChem CID66205617
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CC2CCOCC2)nn1
InChIInChI=1S/C12H22N4O2/c1-17-7-4-13-8-12-10-16(15-14-12)9-11-2-5-18-6-3-11/h10-11,13H,2-9H2,1H3
InChIKeyUZKLWNLEWNPLAC-UHFFFAOYSA-N
XLogP0.44
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 125456733
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194002
4-(bromomethyl)-1-(oxan-4-ylmethyl)triazole
CID 62402137
4-(chloromethyl)-1-(oxan-4-ylmethyl)triazole
CID 62399510
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 63705832
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66192493
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine (CID 66205617) is 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine is COCCNCc1cn(CC2CCOCC2)nn1.
What is the InChIKey of 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is UZKLWNLEWNPLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-17-7-4-13-8-12-10-16(15-14-12)9-11-2-5-18-6-3-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 254.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66205617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).