1-aminoicos-11-en-2-ol

C20H41NO — CID 54452682

IUPAC1-aminoicos-11-en-2-ol
SMILESCCCCCCCCC=CCCCCCCCCC(O)CN
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21/h9-10,20,22H,2-8,11-19,21H2,1H3
InChIKeyWWASAZBMXLYJCT-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.73
Rot. Bonds17

About 1-aminoicos-11-en-2-ol

1-aminoicos-11-en-2-ol (PubChem CID 54452682) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-aminoicos-11-en-2-ol.

Molecular Properties

Compound Name1-aminoicos-11-en-2-ol
PubChem CID54452682
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name1-aminoicos-11-en-2-ol
SMILESCCCCCCCCC=CCCCCCCCCC(O)CN
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21/h9-10,20,22H,2-8,11-19,21H2,1H3
InChIKeyWWASAZBMXLYJCT-UHFFFAOYSA-N
XLogP5.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.73
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 1-aminoicos-11-en-2-ol?
The IUPAC name of 1-aminoicos-11-en-2-ol (CID 54452682) is 1-aminoicos-11-en-2-ol.
What is the SMILES notation for 1-aminoicos-11-en-2-ol?
The canonical SMILES for 1-aminoicos-11-en-2-ol is CCCCCCCCC=CCCCCCCCCC(O)CN.
What is the InChIKey of 1-aminoicos-11-en-2-ol?
The InChIKey is WWASAZBMXLYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21/h9-10,20,22H,2-8,11-19,21H2,1H3.
What are the key properties of 1-aminoicos-11-en-2-ol?
1-aminoicos-11-en-2-ol has a molecular weight of 311.55 g/mol, XLogP of 5.73, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoicos-11-en-2-ol is sourced from PubChem (CID 54452682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).