1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol

C12H26BrNO — CID 79389539

IUPAC1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(CBr)C(C)(C)C)CC(C)(C)O
InChIInChI=1S/C12H26BrNO/c1-11(2,3)10(7-13)8-14(6)9-12(4,5)15/h10,15H,7-9H2,1-6H3
InChIKeyYIVQFGSLQZCCPV-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.75
Rot. Bonds5

About 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol

1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79389539) has the molecular formula C12H26BrNO and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79389539
Molecular FormulaC12H26BrNO
Molecular Weight280.25 g/mol
Exact Mass279.12
IUPAC Name1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(CBr)C(C)(C)C)CC(C)(C)O
InChIInChI=1S/C12H26BrNO/c1-11(2,3)10(7-13)8-14(6)9-12(4,5)15/h10,15H,7-9H2,1-6H3
InChIKeyYIVQFGSLQZCCPV-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol (CID 79389539) is 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol is CN(CC(CBr)C(C)(C)C)CC(C)(C)O.
What is the InChIKey of 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is YIVQFGSLQZCCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrNO/c1-11(2,3)10(7-13)8-14(6)9-12(4,5)15/h10,15H,7-9H2,1-6H3.
What are the key properties of 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 280.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).