3-(diethylamino)-3,7,7-trimethyloctan-4-ol

C15H33NO — CID 79062806

IUPAC3-(diethylamino)-3,7,7-trimethyloctan-4-ol
SMILESCCN(CC)C(C)(CC)C(O)CCC(C)(C)C
InChIInChI=1S/C15H33NO/c1-8-15(7,16(9-2)10-3)13(17)11-12-14(4,5)6/h13,17H,8-12H2,1-7H3
InChIKeyCPOIINZASNSVNU-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.68
Rot. Bonds7

About 3-(diethylamino)-3,7,7-trimethyloctan-4-ol

3-(diethylamino)-3,7,7-trimethyloctan-4-ol (PubChem CID 79062806) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-(diethylamino)-3,7,7-trimethyloctan-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3,7,7-trimethyloctan-4-ol
PubChem CID79062806
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-(diethylamino)-3,7,7-trimethyloctan-4-ol
SMILESCCN(CC)C(C)(CC)C(O)CCC(C)(C)C
InChIInChI=1S/C15H33NO/c1-8-15(7,16(9-2)10-3)13(17)11-12-14(4,5)6/h13,17H,8-12H2,1-7H3
InChIKeyCPOIINZASNSVNU-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3,7,7-trimethyloctan-4-ol?
The IUPAC name of 3-(diethylamino)-3,7,7-trimethyloctan-4-ol (CID 79062806) is 3-(diethylamino)-3,7,7-trimethyloctan-4-ol.
What is the SMILES notation for 3-(diethylamino)-3,7,7-trimethyloctan-4-ol?
The canonical SMILES for 3-(diethylamino)-3,7,7-trimethyloctan-4-ol is CCN(CC)C(C)(CC)C(O)CCC(C)(C)C.
What is the InChIKey of 3-(diethylamino)-3,7,7-trimethyloctan-4-ol?
The InChIKey is CPOIINZASNSVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-15(7,16(9-2)10-3)13(17)11-12-14(4,5)6/h13,17H,8-12H2,1-7H3.
What are the key properties of 3-(diethylamino)-3,7,7-trimethyloctan-4-ol?
3-(diethylamino)-3,7,7-trimethyloctan-4-ol has a molecular weight of 243.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3,7,7-trimethyloctan-4-ol is sourced from PubChem (CID 79062806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).