2-(diethylamino)-2,5,7-trimethyloctan-3-ol

C15H33NO — CID 114200733

IUPAC2-(diethylamino)-2,5,7-trimethyloctan-3-ol
SMILESCCN(CC)C(C)(C)C(O)CC(C)CC(C)C
InChIInChI=1S/C15H33NO/c1-8-16(9-2)15(6,7)14(17)11-13(5)10-12(3)4/h12-14,17H,8-11H2,1-7H3
InChIKeySGQKDGUUSQJGQE-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.54
Rot. Bonds8

About 2-(diethylamino)-2,5,7-trimethyloctan-3-ol

2-(diethylamino)-2,5,7-trimethyloctan-3-ol (PubChem CID 114200733) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-(diethylamino)-2,5,7-trimethyloctan-3-ol.

Molecular Properties

Compound Name2-(diethylamino)-2,5,7-trimethyloctan-3-ol
PubChem CID114200733
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-(diethylamino)-2,5,7-trimethyloctan-3-ol
SMILESCCN(CC)C(C)(C)C(O)CC(C)CC(C)C
InChIInChI=1S/C15H33NO/c1-8-16(9-2)15(6,7)14(17)11-13(5)10-12(3)4/h12-14,17H,8-11H2,1-7H3
InChIKeySGQKDGUUSQJGQE-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2,5,7-trimethyloctan-3-ol?
The IUPAC name of 2-(diethylamino)-2,5,7-trimethyloctan-3-ol (CID 114200733) is 2-(diethylamino)-2,5,7-trimethyloctan-3-ol.
What is the SMILES notation for 2-(diethylamino)-2,5,7-trimethyloctan-3-ol?
The canonical SMILES for 2-(diethylamino)-2,5,7-trimethyloctan-3-ol is CCN(CC)C(C)(C)C(O)CC(C)CC(C)C.
What is the InChIKey of 2-(diethylamino)-2,5,7-trimethyloctan-3-ol?
The InChIKey is SGQKDGUUSQJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-16(9-2)15(6,7)14(17)11-13(5)10-12(3)4/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 2-(diethylamino)-2,5,7-trimethyloctan-3-ol?
2-(diethylamino)-2,5,7-trimethyloctan-3-ol has a molecular weight of 243.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2,5,7-trimethyloctan-3-ol is sourced from PubChem (CID 114200733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).