3-(2-ethylbutyl)azetidin-3-ol

C9H19NO — CID 82929013

IUPAC3-(2-ethylbutyl)azetidin-3-ol
SMILESCCC(CC)CC1(O)CNC1
InChIInChI=1S/C9H19NO/c1-3-8(4-2)5-9(11)6-10-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyAAZVPLAMTSAWLV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-ethylbutyl)azetidin-3-ol

3-(2-ethylbutyl)azetidin-3-ol (PubChem CID 82929013) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(2-ethylbutyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(2-ethylbutyl)azetidin-3-ol
PubChem CID82929013
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(2-ethylbutyl)azetidin-3-ol
SMILESCCC(CC)CC1(O)CNC1
InChIInChI=1S/C9H19NO/c1-3-8(4-2)5-9(11)6-10-7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyAAZVPLAMTSAWLV-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)azetidin-3-ol?
The IUPAC name of 3-(2-ethylbutyl)azetidin-3-ol (CID 82929013) is 3-(2-ethylbutyl)azetidin-3-ol.
What is the SMILES notation for 3-(2-ethylbutyl)azetidin-3-ol?
The canonical SMILES for 3-(2-ethylbutyl)azetidin-3-ol is CCC(CC)CC1(O)CNC1.
What is the InChIKey of 3-(2-ethylbutyl)azetidin-3-ol?
The InChIKey is AAZVPLAMTSAWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-8(4-2)5-9(11)6-10-7-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethylbutyl)azetidin-3-ol?
3-(2-ethylbutyl)azetidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)azetidin-3-ol is sourced from PubChem (CID 82929013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).