2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol

C12H28N2O3 — CID 70114971

IUPAC2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol
SMILESCCC(N)(CC)CO.CCC1(O)CNCCO1
InChIInChI=1S/C6H13NO2.C6H15NO/c1-2-6(8)5-7-3-4-9-6;1-3-6(7,4-2)5-8/h7-8H,2-5H2,1H3;8H,3-5,7H2,1-2H3
InChIKeyFHQAFVCBXQSMOL-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol

2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol (PubChem CID 70114971) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol.

Molecular Properties

Compound Name2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol
PubChem CID70114971
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol
SMILESCCC(N)(CC)CO.CCC1(O)CNCCO1
InChIInChI=1S/C6H13NO2.C6H15NO/c1-2-6(8)5-7-3-4-9-6;1-3-6(7,4-2)5-8/h7-8H,2-5H2,1H3;8H,3-5,7H2,1-2H3
InChIKeyFHQAFVCBXQSMOL-UHFFFAOYSA-N
XLogP0.20
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol?
The IUPAC name of 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol (CID 70114971) is 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol.
What is the SMILES notation for 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol?
The canonical SMILES for 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol is CCC(N)(CC)CO.CCC1(O)CNCCO1.
What is the InChIKey of 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol?
The InChIKey is FHQAFVCBXQSMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C6H15NO/c1-2-6(8)5-7-3-4-9-6;1-3-6(7,4-2)5-8/h7-8H,2-5H2,1H3;8H,3-5,7H2,1-2H3.
What are the key properties of 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol?
2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol has a molecular weight of 248.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethylbutan-1-ol;2-ethylmorpholin-2-ol is sourced from PubChem (CID 70114971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).