3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol

C10H21NO — CID 130727553

IUPAC3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol
SMILESCCC1(C)CN(C(C)C(C)O)C1
InChIInChI=1S/C10H21NO/c1-5-10(4)6-11(7-10)8(2)9(3)12/h8-9,12H,5-7H2,1-4H3
InChIKeyZIAVPFHIOHUIEN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol

3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol (PubChem CID 130727553) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol
PubChem CID130727553
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol
SMILESCCC1(C)CN(C(C)C(C)O)C1
InChIInChI=1S/C10H21NO/c1-5-10(4)6-11(7-10)8(2)9(3)12/h8-9,12H,5-7H2,1-4H3
InChIKeyZIAVPFHIOHUIEN-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol?
The IUPAC name of 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol (CID 130727553) is 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol.
What is the SMILES notation for 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol?
The canonical SMILES for 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol is CCC1(C)CN(C(C)C(C)O)C1.
What is the InChIKey of 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol?
The InChIKey is ZIAVPFHIOHUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(4)6-11(7-10)8(2)9(3)12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol?
3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-methylazetidin-1-yl)butan-2-ol is sourced from PubChem (CID 130727553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).