2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine

C11H23NO — CID 167718151

IUPAC2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine
SMILESCC1(C)CC(CCN)CC(C)(C)O1
InChIInChI=1S/C11H23NO/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h9H,5-8,12H2,1-4H3
InChIKeyOFRQBDMBQHPJHQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds2

About 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine

2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine (PubChem CID 167718151) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine
PubChem CID167718151
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine
SMILESCC1(C)CC(CCN)CC(C)(C)O1
InChIInChI=1S/C11H23NO/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h9H,5-8,12H2,1-4H3
InChIKeyOFRQBDMBQHPJHQ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine?
The IUPAC name of 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine (CID 167718151) is 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine is CC1(C)CC(CCN)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine?
The InChIKey is OFRQBDMBQHPJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)7-9(5-6-12)8-11(3,4)13-10/h9H,5-8,12H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine?
2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyloxan-4-yl)ethanamine is sourced from PubChem (CID 167718151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).