3-(2-butoxyethyl)-3-propylazetidine

C12H25NO — CID 79452561

IUPAC3-(2-butoxyethyl)-3-propylazetidine
SMILESCCCCOCCC1(CCC)CNC1
InChIInChI=1S/C12H25NO/c1-3-5-8-14-9-7-12(6-4-2)10-13-11-12/h13H,3-11H2,1-2H3
InChIKeyONOKQBHBGWGIHH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds8

About 3-(2-butoxyethyl)-3-propylazetidine

3-(2-butoxyethyl)-3-propylazetidine (PubChem CID 79452561) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-3-propylazetidine.

Molecular Properties

Compound Name3-(2-butoxyethyl)-3-propylazetidine
PubChem CID79452561
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-butoxyethyl)-3-propylazetidine
SMILESCCCCOCCC1(CCC)CNC1
InChIInChI=1S/C12H25NO/c1-3-5-8-14-9-7-12(6-4-2)10-13-11-12/h13H,3-11H2,1-2H3
InChIKeyONOKQBHBGWGIHH-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-(3-methoxypropoxy)ethyl]-3-propylazetidine
CID 103185145
3-(2-ethoxyethyl)-3-ethylazetidine
CID 79451036
3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
3-decyl-3-ethylazetidine
CID 79451957
1-butoxypentane;niobium
CID 175363169
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxydotriacontane
CID 91693232
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
2,2,6,6-tetramethyl-1-pentoxypiperazine
CID 174892546
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-3-propylazetidine?
The IUPAC name of 3-(2-butoxyethyl)-3-propylazetidine (CID 79452561) is 3-(2-butoxyethyl)-3-propylazetidine.
What is the SMILES notation for 3-(2-butoxyethyl)-3-propylazetidine?
The canonical SMILES for 3-(2-butoxyethyl)-3-propylazetidine is CCCCOCCC1(CCC)CNC1.
What is the InChIKey of 3-(2-butoxyethyl)-3-propylazetidine?
The InChIKey is ONOKQBHBGWGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-8-14-9-7-12(6-4-2)10-13-11-12/h13H,3-11H2,1-2H3.
What are the key properties of 3-(2-butoxyethyl)-3-propylazetidine?
3-(2-butoxyethyl)-3-propylazetidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-3-propylazetidine is sourced from PubChem (CID 79452561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).