4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol

C11H26N2O2 — CID 57241271

IUPAC4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol
SMILESCCC(C)(CO)NC(CC)(CO)CCN
InChIInChI=1S/C11H26N2O2/c1-4-10(3,8-14)13-11(5-2,9-15)6-7-12/h13-15H,4-9,12H2,1-3H3
InChIKeyFENULTQWTHJQBF-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.23
Rot. Bonds8

About 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol

4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol (PubChem CID 57241271) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol
PubChem CID57241271
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol
SMILESCCC(C)(CO)NC(CC)(CO)CCN
InChIInChI=1S/C11H26N2O2/c1-4-10(3,8-14)13-11(5-2,9-15)6-7-12/h13-15H,4-9,12H2,1-3H3
InChIKeyFENULTQWTHJQBF-UHFFFAOYSA-N
XLogP0.23
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol?
The IUPAC name of 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol (CID 57241271) is 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol is CCC(C)(CO)NC(CC)(CO)CCN.
What is the InChIKey of 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol?
The InChIKey is FENULTQWTHJQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-10(3,8-14)13-11(5-2,9-15)6-7-12/h13-15H,4-9,12H2,1-3H3.
What are the key properties of 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol?
4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 57241271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).