1-butyl-2-ethoxy-2-propoxyazetidine

C12H25NO2 — CID 69498044

IUPAC1-butyl-2-ethoxy-2-propoxyazetidine
SMILESCCCCN1CCC1(OCC)OCCC
InChIInChI=1S/C12H25NO2/c1-4-7-9-13-10-8-12(13,14-6-3)15-11-5-2/h4-11H2,1-3H3
InChIKeyBHTDFWACGVXVPT-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds8

About 1-butyl-2-ethoxy-2-propoxyazetidine

1-butyl-2-ethoxy-2-propoxyazetidine (PubChem CID 69498044) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-butyl-2-ethoxy-2-propoxyazetidine.

Molecular Properties

Compound Name1-butyl-2-ethoxy-2-propoxyazetidine
PubChem CID69498044
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-butyl-2-ethoxy-2-propoxyazetidine
SMILESCCCCN1CCC1(OCC)OCCC
InChIInChI=1S/C12H25NO2/c1-4-7-9-13-10-8-12(13,14-6-3)15-11-5-2/h4-11H2,1-3H3
InChIKeyBHTDFWACGVXVPT-UHFFFAOYSA-N
XLogP2.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-ethoxy-2-propoxypiperidine
CID 69498111
4-ethyl-1-methyl-4-propoxypiperidine
CID 118457610
1-butyl-2-methyl-2-propylpyrrolidine;ethane
CID 170624322
1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
CID 21395249
1-butyl-2,2,4,4-tetramethylpyrrolidine
CID 143377523
(1-propoxycyclobutyl)methanol
CID 151153124
pentane;stannane
CID 173279416
1-ethyl-1-propoxycyclopropane
CID 59107418
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
2-butyl-2-azaspiro[3.3]heptane
CID 170365296
1,1-dipropoxycyclodecane
CID 89439642
1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethoxy-2-propoxyazetidine?
The IUPAC name of 1-butyl-2-ethoxy-2-propoxyazetidine (CID 69498044) is 1-butyl-2-ethoxy-2-propoxyazetidine.
What is the SMILES notation for 1-butyl-2-ethoxy-2-propoxyazetidine?
The canonical SMILES for 1-butyl-2-ethoxy-2-propoxyazetidine is CCCCN1CCC1(OCC)OCCC.
What is the InChIKey of 1-butyl-2-ethoxy-2-propoxyazetidine?
The InChIKey is BHTDFWACGVXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-9-13-10-8-12(13,14-6-3)15-11-5-2/h4-11H2,1-3H3.
What are the key properties of 1-butyl-2-ethoxy-2-propoxyazetidine?
1-butyl-2-ethoxy-2-propoxyazetidine has a molecular weight of 215.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethoxy-2-propoxyazetidine is sourced from PubChem (CID 69498044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).