4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine

C12H22BrNO — CID 65009677

IUPAC4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine
SMILESCCC1COCCN1CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-2-11-8-15-7-6-14(11)10-12(9-13)4-3-5-12/h11H,2-10H2,1H3
InChIKeyDEHMGCNKXRYGNB-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.66
Rot. Bonds4

About 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine

4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine (PubChem CID 65009677) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine
PubChem CID65009677
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine
SMILESCCC1COCCN1CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-2-11-8-15-7-6-14(11)10-12(9-13)4-3-5-12/h11H,2-10H2,1H3
InChIKeyDEHMGCNKXRYGNB-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine?
The IUPAC name of 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine (CID 65009677) is 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine?
The canonical SMILES for 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine is CCC1COCCN1CC1(CBr)CCC1.
What is the InChIKey of 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine?
The InChIKey is DEHMGCNKXRYGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-2-11-8-15-7-6-14(11)10-12(9-13)4-3-5-12/h11H,2-10H2,1H3.
What are the key properties of 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine?
4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine has a molecular weight of 276.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine is sourced from PubChem (CID 65009677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).