1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine

C11H20N4O — CID 116523471

IUPAC1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CCC(C)(C)O2)nn1
InChIInChI=1S/C11H20N4O/c1-11(2)5-4-10(16-11)8-15-7-9(6-12-3)13-14-15/h7,10,12H,4-6,8H2,1-3H3
InChIKeyVCASYTUGCCTWLP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds4

About 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine

1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 116523471) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID116523471
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CCC(C)(C)O2)nn1
InChIInChI=1S/C11H20N4O/c1-11(2)5-4-10(16-11)8-15-7-9(6-12-3)13-14-15/h7,10,12H,4-6,8H2,1-3H3
InChIKeyVCASYTUGCCTWLP-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine (CID 116523471) is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CC2CCC(C)(C)O2)nn1.
What is the InChIKey of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is VCASYTUGCCTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2)5-4-10(16-11)8-15-7-9(6-12-3)13-14-15/h7,10,12H,4-6,8H2,1-3H3.
What are the key properties of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116523471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).