N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine

C11H20N4O — CID 116521666

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCC1(C)CCC(CNCCn2ccnn2)O1
InChIInChI=1S/C11H20N4O/c1-11(2)4-3-10(16-11)9-12-5-7-15-8-6-13-14-15/h6,8,10,12H,3-5,7,9H2,1-2H3
InChIKeyGBHUPBHOCDSBAH-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.83
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine (PubChem CID 116521666) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
PubChem CID116521666
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
SMILESCC1(C)CCC(CNCCn2ccnn2)O1
InChIInChI=1S/C11H20N4O/c1-11(2)4-3-10(16-11)9-12-5-7-15-8-6-13-14-15/h6,8,10,12H,3-5,7,9H2,1-2H3
InChIKeyGBHUPBHOCDSBAH-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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-oxaspiro[4.4]nonan-2-ylmethyl)-2-(triazol-1-yl)ethanamine
CID 102897779
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
N-[(4-methyloxan-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104586770
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-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400999
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119070319
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 103002040
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine (CID 116521666) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine is CC1(C)CCC(CNCCn2ccnn2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is GBHUPBHOCDSBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2)4-3-10(16-11)9-12-5-7-15-8-6-13-14-15/h6,8,10,12H,3-5,7,9H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 116521666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).