[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium

C11H25N2O3+ — CID 58468438

IUPAC[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium
SMILESNCC(O)/C=C/CCCC(O)CC(O)C[NH3+]
InChIInChI=1S/C11H24N2O3/c12-7-10(15)5-3-1-2-4-9(14)6-11(16)8-13/h3,5,9-11,14-16H,1-2,4,6-8,12-13H2/p+1/b5-3+
InChIKeyIJLIRFIINVIXNE-HWKANZROSA-O
MW233.33 g/mol
LogP-1.61
Rot. Bonds9

About [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium

[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium (PubChem CID 58468438) has the molecular formula C11H25N2O3+ and a molecular weight of 233.33 g/mol. Its IUPAC name is [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium.

Molecular Properties

Compound Name[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium
PubChem CID58468438
Molecular FormulaC11H25N2O3+
Molecular Weight233.33 g/mol
Exact Mass233.19
IUPAC Name[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium
SMILESNCC(O)/C=C/CCCC(O)CC(O)C[NH3+]
InChIInChI=1S/C11H24N2O3/c12-7-10(15)5-3-1-2-4-9(14)6-11(16)8-13/h3,5,9-11,14-16H,1-2,4,6-8,12-13H2/p+1/b5-3+
InChIKeyIJLIRFIINVIXNE-HWKANZROSA-O
XLogP-1.61
TPSA114.35 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
CID 10562206
6-Hydroxysphingosine
CID 12991068
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
(2R,3S,5Z,9E,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-5,9,11,14,17,20-hexaene-3,8,28-triol
CID 101465289
halisphingosine A
CID 70697781
(2S,3R,5Z,8R,9E,11Z,14Z,17Z,20Z,28R,29S)-2,29-diaminotriaconta-5,9,11,14,17,20-hexaene-3,8,28-triol
CID 162928861
(2R,3S,4Z,7S,8E,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-4,8,11,14,17,20-hexaene-3,7,28-triol
CID 163103655
2-Aminooctadec-4-ene-1,3,6-triol
CID 54054101
(2S,3R)-2-Aminooctadec-4-ene-1,3,6-triol
CID 71353566
6-(r)-Hydroxysphingosine
CID 101236554
Lignoceryl-sphingosine
CID 129671407
(E,14S,15R)-14-aminotriacont-16-ene-13,15-diol
CID 129688338

Frequently Asked Questions

What is the IUPAC name of [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium?
The IUPAC name of [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium (CID 58468438) is [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium.
What is the SMILES notation for [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium?
The canonical SMILES for [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium is NCC(O)/C=C/CCCC(O)CC(O)C[NH3+].
What is the InChIKey of [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium?
The InChIKey is IJLIRFIINVIXNE-HWKANZROSA-O. The full InChI is InChI=1S/C11H24N2O3/c12-7-10(15)5-3-1-2-4-9(14)6-11(16)8-13/h3,5,9-11,14-16H,1-2,4,6-8,12-13H2/p+1/b5-3+.
What are the key properties of [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium?
[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium has a molecular weight of 233.33 g/mol, XLogP of -1.61, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium is sourced from PubChem (CID 58468438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).