2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol

C11H23NO2 — CID 4711917

IUPAC2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol
SMILESC=CCC(NCCOCCO)C(C)C
InChIInChI=1S/C11H23NO2/c1-4-5-11(10(2)3)12-6-8-14-9-7-13/h4,10-13H,1,5-9H2,2-3H3
InChIKeyCBZKCYGSQNTHHC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.19
Rot. Bonds9

About 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol

2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol (PubChem CID 4711917) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol
PubChem CID4711917
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol
SMILESC=CCC(NCCOCCO)C(C)C
InChIInChI=1S/C11H23NO2/c1-4-5-11(10(2)3)12-6-8-14-9-7-13/h4,10-13H,1,5-9H2,2-3H3
InChIKeyCBZKCYGSQNTHHC-UHFFFAOYSA-N
XLogP1.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol (CID 4711917) is 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol is C=CCC(NCCOCCO)C(C)C.
What is the InChIKey of 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol?
The InChIKey is CBZKCYGSQNTHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-11(10(2)3)12-6-8-14-9-7-13/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol?
2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylhex-5-en-3-ylamino)ethoxy]ethanol is sourced from PubChem (CID 4711917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).