(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol

C11H20N2O2 — CID 134526883

IUPAC(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol
SMILESCNCC/C(C)=C/C(O)=C(O)\C=C(/C)N
InChIInChI=1S/C11H20N2O2/c1-8(4-5-13-3)6-10(14)11(15)7-9(2)12/h6-7,13-15H,4-5,12H2,1-3H3/b8-6+,9-7+,11-10-
InChIKeyLJONOKMCOXTXNP-AIEOQPFWSA-N
MW212.29 g/mol
LogP1.73
Rot. Bonds5

About (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol

(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol (PubChem CID 134526883) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol.

Molecular Properties

Compound Name(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol
PubChem CID134526883
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol
SMILESCNCC/C(C)=C/C(O)=C(O)\C=C(/C)N
InChIInChI=1S/C11H20N2O2/c1-8(4-5-13-3)6-10(14)11(15)7-9(2)12/h6-7,13-15H,4-5,12H2,1-3H3/b8-6+,9-7+,11-10-
InChIKeyLJONOKMCOXTXNP-AIEOQPFWSA-N
XLogP1.73
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol?
The IUPAC name of (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol (CID 134526883) is (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol.
What is the SMILES notation for (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol?
The canonical SMILES for (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol is CNCC/C(C)=C/C(O)=C(O)\C=C(/C)N.
What is the InChIKey of (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol?
The InChIKey is LJONOKMCOXTXNP-AIEOQPFWSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(4-5-13-3)6-10(14)11(15)7-9(2)12/h6-7,13-15H,4-5,12H2,1-3H3/b8-6+,9-7+,11-10-.
What are the key properties of (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol?
(2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol has a molecular weight of 212.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-2-amino-7-methyl-9-(methylamino)nona-2,4,6-triene-4,5-diol is sourced from PubChem (CID 134526883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).