N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine

C13H26BrNO — CID 65004499

IUPACN-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CC1(CBr)CCOCC1
InChIInChI=1S/C13H26BrNO/c1-11(2)12(3)15(4)10-13(9-14)5-7-16-8-6-13/h11-12H,5-10H2,1-4H3
InChIKeyIHTUDIDXQKNMLZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.15
Rot. Bonds5

About N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine

N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 65004499) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID65004499
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CC1(CBr)CCOCC1
InChIInChI=1S/C13H26BrNO/c1-11(2)12(3)15(4)10-13(9-14)5-7-16-8-6-13/h11-12H,5-10H2,1-4H3
InChIKeyIHTUDIDXQKNMLZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.15
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

N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
CID 65009626
3-[[4-(bromomethyl)oxan-4-yl]methyl-methylamino]butanenitrile
CID 65004460
3-[[4-(bromomethyl)oxan-4-yl]methyl-methylamino]-2-methylpropanenitrile
CID 65004302
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
CID 104554785
3-[[4-(bromomethyl)oxan-4-yl]methyl-ethylamino]-2-methylpropanenitrile
CID 65004300
3-[[4-(bromomethyl)oxan-4-yl]methyl-methylamino]propanenitrile
CID 65004646
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine (CID 65004499) is N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)CC1(CBr)CCOCC1.
What is the InChIKey of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is IHTUDIDXQKNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-11(2)12(3)15(4)10-13(9-14)5-7-16-8-6-13/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine?
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 292.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 65004499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).