2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol

C15H33NO2 — CID 64804208

IUPAC2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol
SMILESCCCCC(CC)COCCC(C)(CO)NCC
InChIInChI=1S/C15H33NO2/c1-5-8-9-14(6-2)12-18-11-10-15(4,13-17)16-7-3/h14,16-17H,5-13H2,1-4H3
InChIKeyRSTNFEPJQNJQLC-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.97
Rot. Bonds12

About 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol

2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol (PubChem CID 64804208) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol
PubChem CID64804208
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol
SMILESCCCCC(CC)COCCC(C)(CO)NCC
InChIInChI=1S/C15H33NO2/c1-5-8-9-14(6-2)12-18-11-10-15(4,13-17)16-7-3/h14,16-17H,5-13H2,1-4H3
InChIKeyRSTNFEPJQNJQLC-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.97
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-(ethylamino)-6-(2-ethylhexoxy)-2-methylhexan-1-ol
CID 64802738
2-(ethylamino)-2-methyl-4-propoxybutan-1-ol
CID 64806050
1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
CID 64815027
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
CID 55192880
N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 55196096
2-ethylhexoxymethanol
CID 18783221
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 82009789

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol (CID 64804208) is 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol is CCCCC(CC)COCCC(C)(CO)NCC.
What is the InChIKey of 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol?
The InChIKey is RSTNFEPJQNJQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-8-9-14(6-2)12-18-11-10-15(4,13-17)16-7-3/h14,16-17H,5-13H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol?
2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 64804208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).