1-amino-3-(2-ethylhexoxy)propan-2-ol

C11H25NO2 — CID 19734691

IUPAC1-amino-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CN
InChIInChI=1S/C11H25NO2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-11,13H,3-9,12H2,1-2H3
InChIKeyZTFVNXZDADBUST-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.54
Rot. Bonds9

About 1-amino-3-(2-ethylhexoxy)propan-2-ol

1-amino-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 19734691) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-amino-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-ethylhexoxy)propan-2-ol
PubChem CID19734691
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-amino-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CN
InChIInChI=1S/C11H25NO2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-11,13H,3-9,12H2,1-2H3
InChIKeyZTFVNXZDADBUST-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2-ethylhexoxy)propan-2-ol (CID 19734691) is 1-amino-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CN.
What is the InChIKey of 1-amino-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is ZTFVNXZDADBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 1-amino-3-(2-ethylhexoxy)propan-2-ol?
1-amino-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 19734691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).