4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol

C11H22BrNO2 — CID 114952449

IUPAC4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCBr)CC1(O)CCOCC1
InChIInChI=1S/C11H22BrNO2/c1-13(7-3-2-6-12)10-11(14)4-8-15-9-5-11/h14H,2-10H2,1H3
InChIKeyMOYWVTNELGKCCO-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.63
Rot. Bonds6

About 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol

4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114952449) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114952449
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCBr)CC1(O)CCOCC1
InChIInChI=1S/C11H22BrNO2/c1-13(7-3-2-6-12)10-11(14)4-8-15-9-5-11/h14H,2-10H2,1H3
InChIKeyMOYWVTNELGKCCO-UHFFFAOYSA-N
XLogP1.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956

Frequently Asked Questions

What is the IUPAC name of 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol (CID 114952449) is 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol is CN(CCCCBr)CC1(O)CCOCC1.
What is the InChIKey of 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is MOYWVTNELGKCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-13(7-3-2-6-12)10-11(14)4-8-15-9-5-11/h14H,2-10H2,1H3.
What are the key properties of 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol?
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 280.21 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).