2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol

C22H47NO2 — CID 21335597

IUPAC2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCCC(C)CCC(CC)CCN(CCO)CCO
InChIInChI=1S/C22H47NO2/c1-4-6-7-8-9-10-11-12-21(3)13-14-22(5-2)15-16-23(17-19-24)18-20-25/h21-22,24-25H,4-20H2,1-3H3
InChIKeyWLSXPFXBVBOKFJ-UHFFFAOYSA-N
MW357.62 g/mol
LogP5.25
Rot. Bonds19

About 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol

2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 21335597) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID21335597
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Name2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCCC(C)CCC(CC)CCN(CCO)CCO
InChIInChI=1S/C22H47NO2/c1-4-6-7-8-9-10-11-12-21(3)13-14-22(5-2)15-16-23(17-19-24)18-20-25/h21-22,24-25H,4-20H2,1-3H3
InChIKeyWLSXPFXBVBOKFJ-UHFFFAOYSA-N
XLogP5.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol (CID 21335597) is 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol is CCCCCCCCCC(C)CCC(CC)CCN(CCO)CCO.
What is the InChIKey of 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is WLSXPFXBVBOKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2/c1-4-6-7-8-9-10-11-12-21(3)13-14-22(5-2)15-16-23(17-19-24)18-20-25/h21-22,24-25H,4-20H2,1-3H3.
What are the key properties of 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 357.62 g/mol, XLogP of 5.25, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-6-methylpentadecyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 21335597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).