1-(3-octoxypropylamino)ethanol

C13H29NO2 — CID 88783287

IUPAC1-(3-octoxypropylamino)ethanol
SMILESCCCCCCCCOCCCNC(C)O
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-8-11-16-12-9-10-14-13(2)15/h13-15H,3-12H2,1-2H3
InChIKeyJBIGIYNFDSNWTO-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.68
Rot. Bonds12

About 1-(3-octoxypropylamino)ethanol

1-(3-octoxypropylamino)ethanol (PubChem CID 88783287) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3-octoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(3-octoxypropylamino)ethanol
PubChem CID88783287
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(3-octoxypropylamino)ethanol
SMILESCCCCCCCCOCCCNC(C)O
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-8-11-16-12-9-10-14-13(2)15/h13-15H,3-12H2,1-2H3
InChIKeyJBIGIYNFDSNWTO-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
1-(butylamino)ethanol;hydrochloride
CID 20534159
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
N-(2-decoxyethyl)propan-2-amine
CID 63399572
CID 159860963
CID 159860963
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of 1-(3-octoxypropylamino)ethanol?
The IUPAC name of 1-(3-octoxypropylamino)ethanol (CID 88783287) is 1-(3-octoxypropylamino)ethanol.
What is the SMILES notation for 1-(3-octoxypropylamino)ethanol?
The canonical SMILES for 1-(3-octoxypropylamino)ethanol is CCCCCCCCOCCCNC(C)O.
What is the InChIKey of 1-(3-octoxypropylamino)ethanol?
The InChIKey is JBIGIYNFDSNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-3-4-5-6-7-8-11-16-12-9-10-14-13(2)15/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(3-octoxypropylamino)ethanol?
1-(3-octoxypropylamino)ethanol has a molecular weight of 231.38 g/mol, XLogP of 2.68, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-octoxypropylamino)ethanol is sourced from PubChem (CID 88783287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).