(Z,9R)-20-amino-3-ethylicos-11-en-9-ol

C22H45NO — CID 140532015

IUPAC(Z,9R)-20-amino-3-ethylicos-11-en-9-ol
SMILESCCC(CC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN
InChIInChI=1S/C22H45NO/c1-3-21(4-2)17-13-12-15-19-22(24)18-14-10-8-6-5-7-9-11-16-20-23/h10,14,21-22,24H,3-9,11-13,15-20,23H2,1-2H3/b14-10-/t22-/m0/s1
InChIKeyRDYLLRWYRVBHKP-BOJAUSIRSA-N
MW339.61 g/mol
LogP6.37
Rot. Bonds18

About (Z,9R)-20-amino-3-ethylicos-11-en-9-ol

(Z,9R)-20-amino-3-ethylicos-11-en-9-ol (PubChem CID 140532015) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is (Z,9R)-20-amino-3-ethylicos-11-en-9-ol.

Molecular Properties

Compound Name(Z,9R)-20-amino-3-ethylicos-11-en-9-ol
PubChem CID140532015
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name(Z,9R)-20-amino-3-ethylicos-11-en-9-ol
SMILESCCC(CC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN
InChIInChI=1S/C22H45NO/c1-3-21(4-2)17-13-12-15-19-22(24)18-14-10-8-6-5-7-9-11-16-20-23/h10,14,21-22,24H,3-9,11-13,15-20,23H2,1-2H3/b14-10-/t22-/m0/s1
InChIKeyRDYLLRWYRVBHKP-BOJAUSIRSA-N
XLogP6.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.37
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,9R)-20-amino-3-ethylicos-11-en-9-ol?
The IUPAC name of (Z,9R)-20-amino-3-ethylicos-11-en-9-ol (CID 140532015) is (Z,9R)-20-amino-3-ethylicos-11-en-9-ol.
What is the SMILES notation for (Z,9R)-20-amino-3-ethylicos-11-en-9-ol?
The canonical SMILES for (Z,9R)-20-amino-3-ethylicos-11-en-9-ol is CCC(CC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN.
What is the InChIKey of (Z,9R)-20-amino-3-ethylicos-11-en-9-ol?
The InChIKey is RDYLLRWYRVBHKP-BOJAUSIRSA-N. The full InChI is InChI=1S/C22H45NO/c1-3-21(4-2)17-13-12-15-19-22(24)18-14-10-8-6-5-7-9-11-16-20-23/h10,14,21-22,24H,3-9,11-13,15-20,23H2,1-2H3/b14-10-/t22-/m0/s1.
What are the key properties of (Z,9R)-20-amino-3-ethylicos-11-en-9-ol?
(Z,9R)-20-amino-3-ethylicos-11-en-9-ol has a molecular weight of 339.61 g/mol, XLogP of 6.37, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,9R)-20-amino-3-ethylicos-11-en-9-ol is sourced from PubChem (CID 140532015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).