2-(octadec-9-enylamino)ethanol

C20H41NO — CID 3015554

IUPAC2-(octadec-9-enylamino)ethanol
SMILESCCCCCCCCC=CCCCCCCCCNCCO
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3
InChIKeyZMOMBHNITWAALH-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.61
Rot. Bonds18

About 2-(octadec-9-enylamino)ethanol

2-(octadec-9-enylamino)ethanol (PubChem CID 3015554) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 2-(octadec-9-enylamino)ethanol.

Molecular Properties

Compound Name2-(octadec-9-enylamino)ethanol
PubChem CID3015554
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name2-(octadec-9-enylamino)ethanol
SMILESCCCCCCCCC=CCCCCCCCCNCCO
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3
InChIKeyZMOMBHNITWAALH-UHFFFAOYSA-N
XLogP5.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(octadec-9-enylamino)ethanol?
The IUPAC name of 2-(octadec-9-enylamino)ethanol (CID 3015554) is 2-(octadec-9-enylamino)ethanol.
What is the SMILES notation for 2-(octadec-9-enylamino)ethanol?
The canonical SMILES for 2-(octadec-9-enylamino)ethanol is CCCCCCCCC=CCCCCCCCCNCCO.
What is the InChIKey of 2-(octadec-9-enylamino)ethanol?
The InChIKey is ZMOMBHNITWAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3.
What are the key properties of 2-(octadec-9-enylamino)ethanol?
2-(octadec-9-enylamino)ethanol has a molecular weight of 311.55 g/mol, XLogP of 5.61, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadec-9-enylamino)ethanol is sourced from PubChem (CID 3015554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).