2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine

C12H22N4O — CID 113375264

IUPAC2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
SMILESCC1(C)CC(NCCn2ccnn2)C(C)(C)O1
InChIInChI=1S/C12H22N4O/c1-11(2)9-10(12(3,4)17-11)13-5-7-16-8-6-14-15-16/h6,8,10,13H,5,7,9H2,1-4H3
InChIKeyCKWDIYFEBDUSOW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine (PubChem CID 113375264) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
PubChem CID113375264
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
SMILESCC1(C)CC(NCCn2ccnn2)C(C)(C)O1
InChIInChI=1S/C12H22N4O/c1-11(2)9-10(12(3,4)17-11)13-5-7-16-8-6-14-15-16/h6,8,10,13H,5,7,9H2,1-4H3
InChIKeyCKWDIYFEBDUSOW-UHFFFAOYSA-N
XLogP1.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
CID 104098817
1-(oxolan-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 104100334
1-cyclopropyl-2-methoxy-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 104100352
1-methoxy-N-[2-(triazol-1-yl)ethyl]hexan-2-amine
CID 104100399
1-(oxolan-3-yl)-N-[2-(triazol-1-yl)ethyl]propan-1-amine
CID 104100418
2-methyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
CID 104100447
1-methoxy-4-methyl-N-[2-(triazol-1-yl)ethyl]pentan-3-amine
CID 104100464
4-methoxy-4-methyl-N-[2-(triazol-1-yl)ethyl]pentan-2-amine
CID 104100543
1-(oxolan-2-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 104100546
2-methyl-N-[4-(triazol-1-yl)butyl]oxolan-3-amine
CID 104100612
N-[(5-methyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 104443016
2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]oxan-4-amine
CID 104443028

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine (CID 113375264) is 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine is CC1(C)CC(NCCn2ccnn2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine?
The InChIKey is CKWDIYFEBDUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2)9-10(12(3,4)17-11)13-5-7-16-8-6-14-15-16/h6,8,10,13H,5,7,9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 113375264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).