1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine

C15H30N2O2 — CID 155331336

IUPAC1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine
SMILESCCCOC1CN(CCCCCOC2CN(C)C2)C1
InChIInChI=1S/C15H30N2O2/c1-3-8-18-15-12-17(13-15)7-5-4-6-9-19-14-10-16(2)11-14/h14-15H,3-13H2,1-2H3
InChIKeyRDQZXKDMXXIYDL-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.60
Rot. Bonds10

About 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine

1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine (PubChem CID 155331336) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine.

Molecular Properties

Compound Name1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine
PubChem CID155331336
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine
SMILESCCCOC1CN(CCCCCOC2CN(C)C2)C1
InChIInChI=1S/C15H30N2O2/c1-3-8-18-15-12-17(13-15)7-5-4-6-9-19-14-10-16(2)11-14/h14-15H,3-13H2,1-2H3
InChIKeyRDQZXKDMXXIYDL-UHFFFAOYSA-N
XLogP1.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-(1-propylazetidin-3-yl)oxyethanol
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4-butoxy-1-(5-methylhexyl)piperidine
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4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
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(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
CID 177319162
ethane;4-propoxy-1-propylpiperidine
CID 156867917
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
(3S)-1-methyl-3-[(Z)-octadec-12-enoxy]pyrrolidine
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N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
(3R)-1-methyl-3,4-bis(octadec-9-enoxy)pyrrolidine
CID 123409882

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine?
The IUPAC name of 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine (CID 155331336) is 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine.
What is the SMILES notation for 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine?
The canonical SMILES for 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine is CCCOC1CN(CCCCCOC2CN(C)C2)C1.
What is the InChIKey of 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine?
The InChIKey is RDQZXKDMXXIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-8-18-15-12-17(13-15)7-5-4-6-9-19-14-10-16(2)11-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine?
1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine has a molecular weight of 270.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine is sourced from PubChem (CID 155331336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).