2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine

C11H24BrN — CID 64997558

IUPAC2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine
SMILESCCC(CBr)CN(C)CC(C)(C)C
InChIInChI=1S/C11H24BrN/c1-6-10(7-12)8-13(5)9-11(2,3)4/h10H,6-9H2,1-5H3
InChIKeyQBTIWLCZDMZCHA-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.39
Rot. Bonds5

About 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine

2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine (PubChem CID 64997558) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine
PubChem CID64997558
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC Name2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine
SMILESCCC(CBr)CN(C)CC(C)(C)C
InChIInChI=1S/C11H24BrN/c1-6-10(7-12)8-13(5)9-11(2,3)4/h10H,6-9H2,1-5H3
InChIKeyQBTIWLCZDMZCHA-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.39
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

N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
CID 65233192
5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
CID 107203593
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
2-(bromomethyl)-N-methyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 65000859
2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine
CID 65000683
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
CID 64827973
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 65011302
N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
CID 159238333
3-[2,2-dimethylpropyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900832
2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 64828182
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine (CID 64997558) is 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine is CCC(CBr)CN(C)CC(C)(C)C.
What is the InChIKey of 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine?
The InChIKey is QBTIWLCZDMZCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN/c1-6-10(7-12)8-13(5)9-11(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine?
2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine has a molecular weight of 250.22 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine is sourced from PubChem (CID 64997558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).