(Z,7R)-18-amino-18-ethylicos-9-en-7-ol

C22H45NO — CID 87396240

IUPAC(Z,7R)-18-amino-18-ethylicos-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(N)(CC)CC
InChIInChI=1S/C22H45NO/c1-4-7-8-15-18-21(24)19-16-13-11-9-10-12-14-17-20-22(23,5-2)6-3/h13,16,21,24H,4-12,14-15,17-20,23H2,1-3H3/b16-13-/t21-/m1/s1
InChIKeyPQSDHLWYKDFKBD-QTIWRUEGSA-N
MW339.61 g/mol
LogP6.51
Rot. Bonds17

About (Z,7R)-18-amino-18-ethylicos-9-en-7-ol

(Z,7R)-18-amino-18-ethylicos-9-en-7-ol (PubChem CID 87396240) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is (Z,7R)-18-amino-18-ethylicos-9-en-7-ol.

Molecular Properties

Compound Name(Z,7R)-18-amino-18-ethylicos-9-en-7-ol
PubChem CID87396240
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name(Z,7R)-18-amino-18-ethylicos-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(N)(CC)CC
InChIInChI=1S/C22H45NO/c1-4-7-8-15-18-21(24)19-16-13-11-9-10-12-14-17-20-22(23,5-2)6-3/h13,16,21,24H,4-12,14-15,17-20,23H2,1-3H3/b16-13-/t21-/m1/s1
InChIKeyPQSDHLWYKDFKBD-QTIWRUEGSA-N
XLogP6.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.51
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,7R)-18-amino-18-ethylicos-9-en-7-ol?
The IUPAC name of (Z,7R)-18-amino-18-ethylicos-9-en-7-ol (CID 87396240) is (Z,7R)-18-amino-18-ethylicos-9-en-7-ol.
What is the SMILES notation for (Z,7R)-18-amino-18-ethylicos-9-en-7-ol?
The canonical SMILES for (Z,7R)-18-amino-18-ethylicos-9-en-7-ol is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(N)(CC)CC.
What is the InChIKey of (Z,7R)-18-amino-18-ethylicos-9-en-7-ol?
The InChIKey is PQSDHLWYKDFKBD-QTIWRUEGSA-N. The full InChI is InChI=1S/C22H45NO/c1-4-7-8-15-18-21(24)19-16-13-11-9-10-12-14-17-20-22(23,5-2)6-3/h13,16,21,24H,4-12,14-15,17-20,23H2,1-3H3/b16-13-/t21-/m1/s1.
What are the key properties of (Z,7R)-18-amino-18-ethylicos-9-en-7-ol?
(Z,7R)-18-amino-18-ethylicos-9-en-7-ol has a molecular weight of 339.61 g/mol, XLogP of 6.51, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-18-amino-18-ethylicos-9-en-7-ol is sourced from PubChem (CID 87396240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).