2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine

C15H28N4O — CID 114624372

IUPAC2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C2CC(C)(C)OC2(C)C)nn1
InChIInChI=1S/C15H28N4O/c1-11(2)8-16-9-12-10-19(18-17-12)13-7-14(3,4)20-15(13,5)6/h10-11,13,16H,7-9H2,1-6H3
InChIKeyNHBMWFLXISYLSQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.54
Rot. Bonds5

About 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 114624372) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine
PubChem CID114624372
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C2CC(C)(C)OC2(C)C)nn1
InChIInChI=1S/C15H28N4O/c1-11(2)8-16-9-12-10-19(18-17-12)13-7-14(3,4)20-15(13,5)6/h10-11,13,16H,7-9H2,1-6H3
InChIKeyNHBMWFLXISYLSQ-UHFFFAOYSA-N
XLogP2.54
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
CID 66193062
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine
CID 114624162
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193246
N-[[2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114624010
2-methyl-N-[[1-(3,4,5-trifluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66205092
2-methyl-N-[[1-(4-nitrophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66205274
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66192869
5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530869
N-[[1-(3-bromo-5-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107580484
N-[[1-(2,5-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66205876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine (CID 114624372) is 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(C2CC(C)(C)OC2(C)C)nn1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is NHBMWFLXISYLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)8-16-9-12-10-19(18-17-12)13-7-14(3,4)20-15(13,5)6/h10-11,13,16H,7-9H2,1-6H3.
What are the key properties of 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114624372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).