2-bromo-N,N,2-trimethylpropan-1-amine

C6H14BrN — CID 138664170

IUPAC2-bromo-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)Br
InChIInChI=1S/C6H14BrN/c1-6(2,7)5-8(3)4/h5H2,1-4H3
InChIKeyMMCWSWDHOZCXHE-UHFFFAOYSA-N
MW180.09 g/mol
LogP1.72
Rot. Bonds2

About 2-bromo-N,N,2-trimethylpropan-1-amine

2-bromo-N,N,2-trimethylpropan-1-amine (PubChem CID 138664170) has the molecular formula C6H14BrN and a molecular weight of 180.09 g/mol. Its IUPAC name is 2-bromo-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name2-bromo-N,N,2-trimethylpropan-1-amine
PubChem CID138664170
Molecular FormulaC6H14BrN
Molecular Weight180.09 g/mol
Exact Mass179.03
IUPAC Name2-bromo-N,N,2-trimethylpropan-1-amine
SMILESCN(C)CC(C)(C)Br
InChIInChI=1S/C6H14BrN/c1-6(2,7)5-8(3)4/h5H2,1-4H3
InChIKeyMMCWSWDHOZCXHE-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;N,N,2,2-tetramethylpropan-1-amine
CID 160781651
2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 160709278
lithium;hydride;N,N,2,2-tetramethylpropan-1-amine
CID 174663551
potassium 1-(dimethylamino)-2-methylpropan-2-olate
CID 90331914
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647
tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
CID 121235831
CID 171625784
CID 171625784
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
1-(dimethylamino)-2-methylsulfanylpropane-2-thiol
CID 91508508
1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
CID 19426586
N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
CID 126621627

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 2-bromo-N,N,2-trimethylpropan-1-amine (CID 138664170) is 2-bromo-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 2-bromo-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 2-bromo-N,N,2-trimethylpropan-1-amine is CN(C)CC(C)(C)Br.
What is the InChIKey of 2-bromo-N,N,2-trimethylpropan-1-amine?
The InChIKey is MMCWSWDHOZCXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrN/c1-6(2,7)5-8(3)4/h5H2,1-4H3.
What are the key properties of 2-bromo-N,N,2-trimethylpropan-1-amine?
2-bromo-N,N,2-trimethylpropan-1-amine has a molecular weight of 180.09 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 138664170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).