2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol

C11H23NO2 — CID 64803165

IUPAC2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol
SMILESCCC(C)(C)OCC(N)(CO)C1CC1
InChIInChI=1S/C11H23NO2/c1-4-10(2,3)14-8-11(12,7-13)9-5-6-9/h9,13H,4-8,12H2,1-3H3
InChIKeyXAQJTGIZWKJFOQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol

2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol (PubChem CID 64803165) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol
PubChem CID64803165
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol
SMILESCCC(C)(C)OCC(N)(CO)C1CC1
InChIInChI=1S/C11H23NO2/c1-4-10(2,3)14-8-11(12,7-13)9-5-6-9/h9,13H,4-8,12H2,1-3H3
InChIKeyXAQJTGIZWKJFOQ-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol (CID 64803165) is 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol is CCC(C)(C)OCC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
The InChIKey is XAQJTGIZWKJFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-10(2,3)14-8-11(12,7-13)9-5-6-9/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol is sourced from PubChem (CID 64803165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).