1-(ethylamino)octan-2-ol

C10H23NO — CID 62774096

IUPAC1-(ethylamino)octan-2-ol
SMILESCCCCCCC(O)CNCC
InChIInChI=1S/C10H23NO/c1-3-5-6-7-8-10(12)9-11-4-2/h10-12H,3-9H2,1-2H3
InChIKeyKZHRNWPLAUFTDH-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds8

About 1-(ethylamino)octan-2-ol

1-(ethylamino)octan-2-ol (PubChem CID 62774096) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-(ethylamino)octan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)octan-2-ol
PubChem CID62774096
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-(ethylamino)octan-2-ol
SMILESCCCCCCC(O)CNCC
InChIInChI=1S/C10H23NO/c1-3-5-6-7-8-10(12)9-11-4-2/h10-12H,3-9H2,1-2H3
InChIKeyKZHRNWPLAUFTDH-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-(ethylamino)hexan-2-ol
CID 54078804
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
1-(ethylamino)decan-4-ol
CID 159715833
1-(methylamino)tetradecan-2-ol
CID 18332301
1-[2-[2-(2-hydroxydecylamino)ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]dodecan-2-ol
CID 162485170

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)octan-2-ol?
The IUPAC name of 1-(ethylamino)octan-2-ol (CID 62774096) is 1-(ethylamino)octan-2-ol.
What is the SMILES notation for 1-(ethylamino)octan-2-ol?
The canonical SMILES for 1-(ethylamino)octan-2-ol is CCCCCCC(O)CNCC.
What is the InChIKey of 1-(ethylamino)octan-2-ol?
The InChIKey is KZHRNWPLAUFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-6-7-8-10(12)9-11-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(ethylamino)octan-2-ol?
1-(ethylamino)octan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)octan-2-ol is sourced from PubChem (CID 62774096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).