10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol

C17H30BrNO — CID 173324924

IUPAC10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol
SMILESCC=C(C)C(O)(CCN(C)C)C(C)=CCCC=C(C)Br
InChIInChI=1S/C17H30BrNO/c1-7-14(2)17(20,12-13-19(5)6)15(3)10-8-9-11-16(4)18/h7,10-11,20H,8-9,12-13H2,1-6H3
InChIKeyQIYVEHQUTCKLRZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.66
Rot. Bonds8

About 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol

10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol (PubChem CID 173324924) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol.

Molecular Properties

Compound Name10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol
PubChem CID173324924
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC Name10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol
SMILESCC=C(C)C(O)(CCN(C)C)C(C)=CCCC=C(C)Br
InChIInChI=1S/C17H30BrNO/c1-7-14(2)17(20,12-13-19(5)6)15(3)10-8-9-11-16(4)18/h7,10-11,20H,8-9,12-13H2,1-6H3
InChIKeyQIYVEHQUTCKLRZ-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol?
The IUPAC name of 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol (CID 173324924) is 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol.
What is the SMILES notation for 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol?
The canonical SMILES for 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol is CC=C(C)C(O)(CCN(C)C)C(C)=CCCC=C(C)Br.
What is the InChIKey of 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol?
The InChIKey is QIYVEHQUTCKLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c1-7-14(2)17(20,12-13-19(5)6)15(3)10-8-9-11-16(4)18/h7,10-11,20H,8-9,12-13H2,1-6H3.
What are the key properties of 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol?
10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol has a molecular weight of 344.34 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-4-[2-(dimethylamino)ethyl]-3,5-dimethylundeca-2,5,9-trien-4-ol is sourced from PubChem (CID 173324924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).