3-methyl-3-octoxyazetidine

C12H25NO — CID 83065433

IUPAC3-methyl-3-octoxyazetidine
SMILESCCCCCCCCOC1(C)CNC1
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-14-12(2)10-13-11-12/h13H,3-11H2,1-2H3
InChIKeyJYFOISACOKMQTP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About 3-methyl-3-octoxyazetidine

3-methyl-3-octoxyazetidine (PubChem CID 83065433) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-3-octoxyazetidine.

Molecular Properties

Compound Name3-methyl-3-octoxyazetidine
PubChem CID83065433
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-3-octoxyazetidine
SMILESCCCCCCCCOC1(C)CNC1
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-14-12(2)10-13-11-12/h13H,3-11H2,1-2H3
InChIKeyJYFOISACOKMQTP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237
3-methyl-3-pent-4-enoxyazetidine
CID 83067660
3-ethoxy-3-methylazetidine
CID 83066072
2,2,6,6-tetramethyl-1-pentoxypiperazine
CID 174892546
butyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658378
N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]propane-1,3-diamine
CID 102656938
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
(1S,6R)-3-methyl-3-pentoxy-7-oxabicyclo[4.1.0]heptane
CID 174589091
N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine
CID 102656780
3-methyl-3-(2-methylbutoxy)azetidine
CID 83065752
octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766540
3-tert-butyl-3-octoxycyclohexa-1,4-diene
CID 173196640

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-octoxyazetidine?
The IUPAC name of 3-methyl-3-octoxyazetidine (CID 83065433) is 3-methyl-3-octoxyazetidine.
What is the SMILES notation for 3-methyl-3-octoxyazetidine?
The canonical SMILES for 3-methyl-3-octoxyazetidine is CCCCCCCCOC1(C)CNC1.
What is the InChIKey of 3-methyl-3-octoxyazetidine?
The InChIKey is JYFOISACOKMQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-14-12(2)10-13-11-12/h13H,3-11H2,1-2H3.
What are the key properties of 3-methyl-3-octoxyazetidine?
3-methyl-3-octoxyazetidine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-octoxyazetidine is sourced from PubChem (CID 83065433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).