(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol

C13H21NO — CID 138564351

IUPAC(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol
SMILESC=C/C(O)=C(C)\C=C/CCC(N)C(=C)C
InChIInChI=1S/C13H21NO/c1-5-13(15)11(4)8-6-7-9-12(14)10(2)3/h5-6,8,12,15H,1-2,7,9,14H2,3-4H3/b8-6-,13-11+
InChIKeyFUYJSAPJJZJMOJ-OWEOKAMTSA-N
MW207.32 g/mol
LogP3.24
Rot. Bonds6

About (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol

(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol (PubChem CID 138564351) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol.

Molecular Properties

Compound Name(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol
PubChem CID138564351
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol
SMILESC=C/C(O)=C(C)\C=C/CCC(N)C(=C)C
InChIInChI=1S/C13H21NO/c1-5-13(15)11(4)8-6-7-9-12(14)10(2)3/h5-6,8,12,15H,1-2,7,9,14H2,3-4H3/b8-6-,13-11+
InChIKeyFUYJSAPJJZJMOJ-OWEOKAMTSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol?
The IUPAC name of (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol (CID 138564351) is (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol.
What is the SMILES notation for (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol?
The canonical SMILES for (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol is C=C/C(O)=C(C)\C=C/CCC(N)C(=C)C.
What is the InChIKey of (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol?
The InChIKey is FUYJSAPJJZJMOJ-OWEOKAMTSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(15)11(4)8-6-7-9-12(14)10(2)3/h5-6,8,12,15H,1-2,7,9,14H2,3-4H3/b8-6-,13-11+.
What are the key properties of (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol?
(3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol has a molecular weight of 207.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-9-amino-4,10-dimethylundeca-1,3,5,10-tetraen-3-ol is sourced from PubChem (CID 138564351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).