2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol

C16H35NO5 — CID 176704836

IUPAC2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
SMILESCCCCCCOCCOCCN.OCC1OCCCC1O
InChIInChI=1S/C10H23NO2.C6H12O3/c1-2-3-4-5-7-12-9-10-13-8-6-11;7-4-6-5(8)2-1-3-9-6/h2-11H2,1H3;5-8H,1-4H2
InChIKeyLPPCKPJEZAQNTG-UHFFFAOYSA-N
MW321.46 g/mol
LogP1.08
Rot. Bonds11

About 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol

2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol (PubChem CID 176704836) has the molecular formula C16H35NO5 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
PubChem CID176704836
Molecular FormulaC16H35NO5
Molecular Weight321.46 g/mol
Exact Mass321.25
IUPAC Name2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
SMILESCCCCCCOCCOCCN.OCC1OCCCC1O
InChIInChI=1S/C10H23NO2.C6H12O3/c1-2-3-4-5-7-12-9-10-13-8-6-11;7-4-6-5(8)2-1-3-9-6/h2-11H2,1H3;5-8H,1-4H2
InChIKeyLPPCKPJEZAQNTG-UHFFFAOYSA-N
XLogP1.08
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
(2R)-2-decoxyoxan-3-ol
CID 164930030
[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
CID 166042635
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
(2S,3R)-2-ethyloxan-3-ol
CID 101188955
2-(2-octadecoxyethylperoxy)ethanamine
CID 161248525
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
2-octadecoxyethanol;propan-1-amine
CID 174446488
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139597376

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol (CID 176704836) is 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol is CCCCCCOCCOCCN.OCC1OCCCC1O.
What is the InChIKey of 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol?
The InChIKey is LPPCKPJEZAQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2.C6H12O3/c1-2-3-4-5-7-12-9-10-13-8-6-11;7-4-6-5(8)2-1-3-9-6/h2-11H2,1H3;5-8H,1-4H2.
What are the key properties of 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol?
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol has a molecular weight of 321.46 g/mol, XLogP of 1.08, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 176704836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).