3-(diethylamino)-3,5,7-trimethyloctan-4-ol

C15H33NO — CID 114284841

IUPAC3-(diethylamino)-3,5,7-trimethyloctan-4-ol
SMILESCCN(CC)C(C)(CC)C(O)C(C)CC(C)C
InChIInChI=1S/C15H33NO/c1-8-15(7,16(9-2)10-3)14(17)13(6)11-12(4)5/h12-14,17H,8-11H2,1-7H3
InChIKeyXTTXQQHIDIGILJ-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.54
Rot. Bonds8

About 3-(diethylamino)-3,5,7-trimethyloctan-4-ol

3-(diethylamino)-3,5,7-trimethyloctan-4-ol (PubChem CID 114284841) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-(diethylamino)-3,5,7-trimethyloctan-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3,5,7-trimethyloctan-4-ol
PubChem CID114284841
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-(diethylamino)-3,5,7-trimethyloctan-4-ol
SMILESCCN(CC)C(C)(CC)C(O)C(C)CC(C)C
InChIInChI=1S/C15H33NO/c1-8-15(7,16(9-2)10-3)14(17)13(6)11-12(4)5/h12-14,17H,8-11H2,1-7H3
InChIKeyXTTXQQHIDIGILJ-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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Related Compounds

3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
CID 79068984
3-(diethylamino)-3,6-dimethylnonan-4-ol
CID 79063814
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
3-(diethylamino)-3,7-dimethyloct-7-en-4-ol
CID 114473935
3-(diethylamino)-3,7,7-trimethyloctan-4-ol
CID 79062806
2-(diethylamino)-2,5,7-trimethyloctan-3-ol
CID 114200733
2-(diethylamino)-2,4-dimethylpentan-3-ol
CID 79053951
3-(diethylamino)-3-methylundecan-4-ol
CID 79064620
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
3-N,3-N,3,6-tetramethylheptane-3,4-diamine
CID 79063853
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
CID 79062947
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3,5,7-trimethyloctan-4-ol?
The IUPAC name of 3-(diethylamino)-3,5,7-trimethyloctan-4-ol (CID 114284841) is 3-(diethylamino)-3,5,7-trimethyloctan-4-ol.
What is the SMILES notation for 3-(diethylamino)-3,5,7-trimethyloctan-4-ol?
The canonical SMILES for 3-(diethylamino)-3,5,7-trimethyloctan-4-ol is CCN(CC)C(C)(CC)C(O)C(C)CC(C)C.
What is the InChIKey of 3-(diethylamino)-3,5,7-trimethyloctan-4-ol?
The InChIKey is XTTXQQHIDIGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-15(7,16(9-2)10-3)14(17)13(6)11-12(4)5/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 3-(diethylamino)-3,5,7-trimethyloctan-4-ol?
3-(diethylamino)-3,5,7-trimethyloctan-4-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 3-(diethylamino)-3,5,7-trimethyloctan-4-ol is sourced from PubChem (CID 114284841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).