1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol

C12H24N2O2 — CID 138525125

IUPAC1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol
SMILESCCN1CC(OCC(C)N2CC(C)(O)C2)C1
InChIInChI=1S/C12H24N2O2/c1-4-13-5-11(6-13)16-7-10(2)14-8-12(3,15)9-14/h10-11,15H,4-9H2,1-3H3
InChIKeyQIKKVIVNXLEAOT-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.16
Rot. Bonds5

About 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol

1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol (PubChem CID 138525125) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol
PubChem CID138525125
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol
SMILESCCN1CC(OCC(C)N2CC(C)(O)C2)C1
InChIInChI=1S/C12H24N2O2/c1-4-13-5-11(6-13)16-7-10(2)14-8-12(3,15)9-14/h10-11,15H,4-9H2,1-3H3
InChIKeyQIKKVIVNXLEAOT-UHFFFAOYSA-N
XLogP0.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol (CID 138525125) is 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol is CCN1CC(OCC(C)N2CC(C)(O)C2)C1.
What is the InChIKey of 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol?
The InChIKey is QIKKVIVNXLEAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-5-11(6-13)16-7-10(2)14-8-12(3,15)9-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol?
1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol has a molecular weight of 228.34 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylazetidin-3-yl)oxypropan-2-yl]-3-methylazetidin-3-ol is sourced from PubChem (CID 138525125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).