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

C11H20N4O — CID 66192330

IUPACN-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCOCC2)nn1
InChIInChI=1S/C11H20N4O/c1-2-12-7-11-9-15(14-13-11)8-10-3-5-16-6-4-10/h9-10,12H,2-8H2,1H3
InChIKeyMNKJQCHPISRTQW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.81
Rot. Bonds5

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

N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66192330) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
PubChem CID66192330
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCOCC2)nn1
InChIInChI=1S/C11H20N4O/c1-2-12-7-11-9-15(14-13-11)8-10-3-5-16-6-4-10/h9-10,12H,2-8H2,1H3
InChIKeyMNKJQCHPISRTQW-UHFFFAOYSA-N
XLogP0.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66205617
2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194002
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
4-(bromomethyl)-1-(oxan-4-ylmethyl)triazole
CID 62402137
4-(chloromethyl)-1-(oxan-4-ylmethyl)triazole
CID 62399510
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
CID 125457580
2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654
3-methoxy-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 125456733
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 63705832

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine (CID 66192330) is N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(CC2CCOCC2)nn1.
What is the InChIKey of N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is MNKJQCHPISRTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-12-7-11-9-15(14-13-11)8-10-3-5-16-6-4-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66192330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).