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

C14H26N4O — CID 114624369

IUPACN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C2CC(C)(C)OC2(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-10(2)15-8-11-9-18(17-16-11)12-7-13(3,4)19-14(12,5)6/h9-10,12,15H,7-8H2,1-6H3
InChIKeyWQHXTXCXDFZTQE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.29
Rot. Bonds4

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

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 114624369) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine
PubChem CID114624369
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C2CC(C)(C)OC2(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-10(2)15-8-11-9-18(17-16-11)12-7-13(3,4)19-14(12,5)6/h9-10,12,15H,7-8H2,1-6H3
InChIKeyWQHXTXCXDFZTQE-UHFFFAOYSA-N
XLogP2.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine (CID 114624369) is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C2CC(C)(C)OC2(C)C)nn1.
What is the InChIKey of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is WQHXTXCXDFZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)15-8-11-9-18(17-16-11)12-7-13(3,4)19-14(12,5)6/h9-10,12,15H,7-8H2,1-6H3.
What are the key properties of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114624369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).