1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol

C16H35NO3 — CID 25023068

IUPAC1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol
SMILESCCCC(CCC)CCCC(O)COCCNCCO
InChIInChI=1S/C16H35NO3/c1-3-6-15(7-4-2)8-5-9-16(19)14-20-13-11-17-10-12-18/h15-19H,3-14H2,1-2H3
InChIKeySEVYHOYVAMUIHN-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.33
Rot. Bonds15

About 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol

1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol (PubChem CID 25023068) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol
PubChem CID25023068
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol
SMILESCCCC(CCC)CCCC(O)COCCNCCO
InChIInChI=1S/C16H35NO3/c1-3-6-15(7-4-2)8-5-9-16(19)14-20-13-11-17-10-12-18/h15-19H,3-14H2,1-2H3
InChIKeySEVYHOYVAMUIHN-UHFFFAOYSA-N
XLogP2.33
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol (CID 25023068) is 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol is CCCC(CCC)CCCC(O)COCCNCCO.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol?
The InChIKey is SEVYHOYVAMUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-3-6-15(7-4-2)8-5-9-16(19)14-20-13-11-17-10-12-18/h15-19H,3-14H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol?
1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.33, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)ethoxy]-6-propylnonan-2-ol is sourced from PubChem (CID 25023068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).