3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine

C11H24BrNO — CID 81062792

IUPAC3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCC(C)OCCN(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrNO/c1-10(2)14-7-6-13(5)9-11(3,4)8-12/h10H,6-9H2,1-5H3
InChIKeyIOVYXDZKZPUPPM-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.76
Rot. Bonds7

About 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine

3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine (PubChem CID 81062792) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
PubChem CID81062792
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC Name3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
SMILESCC(C)OCCN(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrNO/c1-10(2)14-7-6-13(5)9-11(3,4)8-12/h10H,6-9H2,1-5H3
InChIKeyIOVYXDZKZPUPPM-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.76
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

1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
CID 64999998
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
2-methyl-2-(methylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81065082
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
CID 65000482
1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 112561816
2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile
CID 81061824
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 65000340

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The IUPAC name of 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine (CID 81062792) is 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine is CC(C)OCCN(C)CC(C)(C)CBr.
What is the InChIKey of 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
The InChIKey is IOVYXDZKZPUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-10(2)14-7-6-13(5)9-11(3,4)8-12/h10H,6-9H2,1-5H3.
What are the key properties of 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine?
3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine has a molecular weight of 266.22 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 81062792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).