6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol

C20H43NO2 — CID 123578525

IUPAC6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol
SMILESCC(C)(C)CC(C)(C)C(O)C(NCCO)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H43NO2/c1-17(2,3)13-19(7,8)15(21-11-12-22)16(23)20(9,10)14-18(4,5)6/h15-16,21-23H,11-14H2,1-10H3
InChIKeyNUPXNOZQOSEHTD-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.22
Rot. Bonds8

About 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol

6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol (PubChem CID 123578525) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol
PubChem CID123578525
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol
SMILESCC(C)(C)CC(C)(C)C(O)C(NCCO)C(C)(C)CC(C)(C)C
InChIInChI=1S/C20H43NO2/c1-17(2,3)13-19(7,8)15(21-11-12-22)16(23)20(9,10)14-18(4,5)6/h15-16,21-23H,11-14H2,1-10H3
InChIKeyNUPXNOZQOSEHTD-UHFFFAOYSA-N
XLogP4.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol?
The IUPAC name of 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol (CID 123578525) is 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol.
What is the SMILES notation for 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol?
The canonical SMILES for 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol is CC(C)(C)CC(C)(C)C(O)C(NCCO)C(C)(C)CC(C)(C)C.
What is the InChIKey of 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol?
The InChIKey is NUPXNOZQOSEHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-17(2,3)13-19(7,8)15(21-11-12-22)16(23)20(9,10)14-18(4,5)6/h15-16,21-23H,11-14H2,1-10H3.
What are the key properties of 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol?
6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol has a molecular weight of 329.57 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol is sourced from PubChem (CID 123578525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).