(Z)-1-aminoicos-11-en-2-ol

C20H41NO — CID 87700838

IUPAC(Z)-1-aminoicos-11-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(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/b10-9-
InChIKeyWWASAZBMXLYJCT-KTKRTIGZSA-N
MW311.55 g/mol
LogP5.73
Rot. Bonds17

About (Z)-1-aminoicos-11-en-2-ol

(Z)-1-aminoicos-11-en-2-ol (PubChem CID 87700838) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (Z)-1-aminoicos-11-en-2-ol.

Molecular Properties

Compound Name(Z)-1-aminoicos-11-en-2-ol
PubChem CID87700838
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(Z)-1-aminoicos-11-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(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/b10-9-
InChIKeyWWASAZBMXLYJCT-KTKRTIGZSA-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 (Z)-1-aminoicos-11-en-2-ol?
The IUPAC name of (Z)-1-aminoicos-11-en-2-ol (CID 87700838) is (Z)-1-aminoicos-11-en-2-ol.
What is the SMILES notation for (Z)-1-aminoicos-11-en-2-ol?
The canonical SMILES for (Z)-1-aminoicos-11-en-2-ol is CCCCCCCC/C=C\CCCCCCCCC(O)CN.
What is the InChIKey of (Z)-1-aminoicos-11-en-2-ol?
The InChIKey is WWASAZBMXLYJCT-KTKRTIGZSA-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/b10-9-.
What are the key properties of (Z)-1-aminoicos-11-en-2-ol?
(Z)-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 (Z)-1-aminoicos-11-en-2-ol is sourced from PubChem (CID 87700838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).