(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol

C12H19NO — CID 129320393

IUPAC(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
SMILESC/C=C/C=C/C=C/[C@@H](O)C/C=C/CN
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKeyIWHNBGKZOVCSTH-QHHLHPODSA-N
MW193.29 g/mol
LogP1.94
Rot. Bonds6

About (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol

(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol (PubChem CID 129320393) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol.

Molecular Properties

Compound Name(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
PubChem CID129320393
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
SMILESC/C=C/C=C/C=C/[C@@H](O)C/C=C/CN
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKeyIWHNBGKZOVCSTH-QHHLHPODSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol?
The IUPAC name of (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol (CID 129320393) is (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol.
What is the SMILES notation for (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol?
The canonical SMILES for (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol is C/C=C/C=C/C=C/[C@@H](O)C/C=C/CN.
What is the InChIKey of (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol?
The InChIKey is IWHNBGKZOVCSTH-QHHLHPODSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1.
What are the key properties of (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol?
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol has a molecular weight of 193.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol is sourced from PubChem (CID 129320393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).