2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol

C11H25NO3 — CID 115707263

IUPAC2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
SMILESCCCCC(COC)NCCOCCO
InChIInChI=1S/C11H25NO3/c1-3-4-5-11(10-14-2)12-6-8-15-9-7-13/h11-13H,3-10H2,1-2H3
InChIKeyTZJVARIBWUPMQO-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.79
Rot. Bonds11

About 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol

2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol (PubChem CID 115707263) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
PubChem CID115707263
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
SMILESCCCCC(COC)NCCOCCO
InChIInChI=1S/C11H25NO3/c1-3-4-5-11(10-14-2)12-6-8-15-9-7-13/h11-13H,3-10H2,1-2H3
InChIKeyTZJVARIBWUPMQO-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
3-(1-methoxyhexan-2-ylamino)-N-methylpropanamide
CID 115712706
4-(1-methoxyhexan-2-ylamino)-3-methylbutan-1-ol
CID 115725096
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
CID 175685061
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol (CID 115707263) is 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol is CCCCC(COC)NCCOCCO.
What is the InChIKey of 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol?
The InChIKey is TZJVARIBWUPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-3-4-5-11(10-14-2)12-6-8-15-9-7-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol?
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol has a molecular weight of 219.32 g/mol, XLogP of 0.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol is sourced from PubChem (CID 115707263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).