1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol

C11H23NO2 — CID 111488970

IUPAC1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCC1
InChIInChI=1S/C11H23NO2/c1-9(2)14-8-11(13)7-12(3)10-5-4-6-10/h9-11,13H,4-8H2,1-3H3
InChIKeyXABXLKNHWOHIQO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds6

About 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol

1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 111488970) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID111488970
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCC1
InChIInChI=1S/C11H23NO2/c1-9(2)14-8-11(13)7-12(3)10-5-4-6-10/h9-11,13H,4-8H2,1-3H3
InChIKeyXABXLKNHWOHIQO-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol (CID 111488970) is 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is XABXLKNHWOHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)14-8-11(13)7-12(3)10-5-4-6-10/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 111488970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).