2-(8-prop-1-en-2-yloxyoctylamino)ethanol

C13H27NO2 — CID 177029653

IUPAC2-(8-prop-1-en-2-yloxyoctylamino)ethanol
SMILESC=C(C)OCCCCCCCCNCCO
InChIInChI=1S/C13H27NO2/c1-13(2)16-12-8-6-4-3-5-7-9-14-10-11-15/h14-15H,1,3-12H2,2H3
InChIKeyBUYGIAGENZXVBQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.46
Rot. Bonds12

About 2-(8-prop-1-en-2-yloxyoctylamino)ethanol

2-(8-prop-1-en-2-yloxyoctylamino)ethanol (PubChem CID 177029653) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(8-prop-1-en-2-yloxyoctylamino)ethanol.

Molecular Properties

Compound Name2-(8-prop-1-en-2-yloxyoctylamino)ethanol
PubChem CID177029653
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(8-prop-1-en-2-yloxyoctylamino)ethanol
SMILESC=C(C)OCCCCCCCCNCCO
InChIInChI=1S/C13H27NO2/c1-13(2)16-12-8-6-4-3-5-7-9-14-10-11-15/h14-15H,1,3-12H2,2H3
InChIKeyBUYGIAGENZXVBQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-1-en-2-yloxyethylamino)ethanol
CID 145199860
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
1,3-bis(prop-1-en-2-yloxy)propane;methane
CID 162270596
5-(2-hydroxyethylamino)pentyl 2-methyl-3-methylsulfanylpropanoate
CID 174268670
6-(2-hydroxyethylamino)hexyl 2-hexyldecanoate
CID 175993057
6-(2-hydroxyethylamino)hexyl 2-hexyldecanoate
CID 164552041
9-(2-hydroxyethylamino)nonyl 2-butyloctanoate
CID 168955498
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
non-6-enyl 8-(2-hydroxyethylamino)octanoate
CID 175464697

Frequently Asked Questions

What is the IUPAC name of 2-(8-prop-1-en-2-yloxyoctylamino)ethanol?
The IUPAC name of 2-(8-prop-1-en-2-yloxyoctylamino)ethanol (CID 177029653) is 2-(8-prop-1-en-2-yloxyoctylamino)ethanol.
What is the SMILES notation for 2-(8-prop-1-en-2-yloxyoctylamino)ethanol?
The canonical SMILES for 2-(8-prop-1-en-2-yloxyoctylamino)ethanol is C=C(C)OCCCCCCCCNCCO.
What is the InChIKey of 2-(8-prop-1-en-2-yloxyoctylamino)ethanol?
The InChIKey is BUYGIAGENZXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2)16-12-8-6-4-3-5-7-9-14-10-11-15/h14-15H,1,3-12H2,2H3.
What are the key properties of 2-(8-prop-1-en-2-yloxyoctylamino)ethanol?
2-(8-prop-1-en-2-yloxyoctylamino)ethanol has a molecular weight of 229.36 g/mol, XLogP of 2.46, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-prop-1-en-2-yloxyoctylamino)ethanol is sourced from PubChem (CID 177029653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).