N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine

C11H20N4O — CID 104586770

IUPACN-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCC1(CNCCn2ccnn2)CCOCC1
InChIInChI=1S/C11H20N4O/c1-11(2-8-16-9-3-11)10-12-4-6-15-7-5-13-14-15/h5,7,12H,2-4,6,8-10H2,1H3
InChIKeyRNEDOYZIHRVYGM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.68
Rot. Bonds5

About N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine

N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine (PubChem CID 104586770) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine
PubChem CID104586770
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCC1(CNCCn2ccnn2)CCOCC1
InChIInChI=1S/C11H20N4O/c1-11(2-8-16-9-3-11)10-12-4-6-15-7-5-13-14-15/h5,7,12H,2-4,6,8-10H2,1H3
InChIKeyRNEDOYZIHRVYGM-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
CID 107165972
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 116521666
2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 103002040
2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
CID 113375264
2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine
CID 106658992
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(triazol-1-yl)ethanamine
CID 102897779
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 104760831
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586321
1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743599
4-methylsulfanyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 103088367
N-[(3,5-dimethylphenyl)methyl]-2-(triazol-1-yl)ethanamine
CID 113375127

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine (CID 104586770) is N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine is CC1(CNCCn2ccnn2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is RNEDOYZIHRVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2-8-16-9-3-11)10-12-4-6-15-7-5-13-14-15/h5,7,12H,2-4,6,8-10H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine?
N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 104586770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).