4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine

C15H30BrNO — CID 65005268

IUPAC4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine
SMILESCCCC(CBr)(CCC)CN1CC(C)OC(C)C1
InChIInChI=1S/C15H30BrNO/c1-5-7-15(11-16,8-6-2)12-17-9-13(3)18-14(4)10-17/h13-14H,5-12H2,1-4H3
InChIKeyGKEXDYHMTHCQAT-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.08
Rot. Bonds7

About 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine

4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine (PubChem CID 65005268) has the molecular formula C15H30BrNO and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine
PubChem CID65005268
Molecular FormulaC15H30BrNO
Molecular Weight320.32 g/mol
Exact Mass319.15
IUPAC Name4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine
SMILESCCCC(CBr)(CCC)CN1CC(C)OC(C)C1
InChIInChI=1S/C15H30BrNO/c1-5-7-15(11-16,8-6-2)12-17-9-13(3)18-14(4)10-17/h13-14H,5-12H2,1-4H3
InChIKeyGKEXDYHMTHCQAT-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(bromomethyl)-2-propylpentyl]-2-methyl-1,4-oxazepane
CID 65005180
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
4-[2-(bromomethyl)-2-propylpentyl]-2-ethyl-1-methylpiperazine
CID 65005724
4-[2-(bromomethyl)-2-propylpentyl]morpholine-2-carbonitrile
CID 79681104
1-[2-(bromomethyl)-2-propylpentyl]-4,4-dimethylazepane
CID 65283083
1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine
CID 114594789
4,4-bis(bromomethyl)heptane
CID 79004116
1-bromo-2,2-bis(bromomethyl)pentane
CID 88845529
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
4-[2-(bromomethyl)-2-propylpentyl]-3-methylthiomorpholine
CID 65005236

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine (CID 65005268) is 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine is CCCC(CBr)(CCC)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine?
The InChIKey is GKEXDYHMTHCQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO/c1-5-7-15(11-16,8-6-2)12-17-9-13(3)18-14(4)10-17/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine?
4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine has a molecular weight of 320.32 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 65005268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).