2-[2-(heptylamino)ethoxy]ethanol

C11H25NO2 — CID 4712323

IUPAC2-[2-(heptylamino)ethoxy]ethanol
SMILESCCCCCCCNCCOCCO
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-7-12-8-10-14-11-9-13/h12-13H,2-11H2,1H3
InChIKeyVIPNYVIFJCFTER-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.56
Rot. Bonds11

About 2-[2-(heptylamino)ethoxy]ethanol

2-[2-(heptylamino)ethoxy]ethanol (PubChem CID 4712323) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[2-(heptylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(heptylamino)ethoxy]ethanol
PubChem CID4712323
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-[2-(heptylamino)ethoxy]ethanol
SMILESCCCCCCCNCCOCCO
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-7-12-8-10-14-11-9-13/h12-13H,2-11H2,1H3
InChIKeyVIPNYVIFJCFTER-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
CID 170851878
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-heptoxyethanol
CID 23889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(heptylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(heptylamino)ethoxy]ethanol (CID 4712323) is 2-[2-(heptylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(heptylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(heptylamino)ethoxy]ethanol is CCCCCCCNCCOCCO.
What is the InChIKey of 2-[2-(heptylamino)ethoxy]ethanol?
The InChIKey is VIPNYVIFJCFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-3-4-5-6-7-12-8-10-14-11-9-13/h12-13H,2-11H2,1H3.
What are the key properties of 2-[2-(heptylamino)ethoxy]ethanol?
2-[2-(heptylamino)ethoxy]ethanol has a molecular weight of 203.33 g/mol, XLogP of 1.56, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(heptylamino)ethoxy]ethanol is sourced from PubChem (CID 4712323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).