(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol

C11H19NO — CID 89098989

IUPAC(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol
SMILESC=C/C(=C\C=C(/C)C(N)CC)CO
InChIInChI=1S/C11H19NO/c1-4-10(8-13)7-6-9(3)11(12)5-2/h4,6-7,11,13H,1,5,8,12H2,2-3H3/b9-6+,10-7+
InChIKeyGUDFZZQERYGYMU-KZZDLZNXSA-N
MW181.28 g/mol
LogP1.77
Rot. Bonds5

About (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol

(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol (PubChem CID 89098989) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol
PubChem CID89098989
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol
SMILESC=C/C(=C\C=C(/C)C(N)CC)CO
InChIInChI=1S/C11H19NO/c1-4-10(8-13)7-6-9(3)11(12)5-2/h4,6-7,11,13H,1,5,8,12H2,2-3H3/b9-6+,10-7+
InChIKeyGUDFZZQERYGYMU-KZZDLZNXSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol (CID 89098989) is (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol is C=C/C(=C\C=C(/C)C(N)CC)CO.
What is the InChIKey of (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol?
The InChIKey is GUDFZZQERYGYMU-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(8-13)7-6-9(3)11(12)5-2/h4,6-7,11,13H,1,5,8,12H2,2-3H3/b9-6+,10-7+.
What are the key properties of (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol?
(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol is sourced from PubChem (CID 89098989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).