2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine

C13H28BrN — CID 65015773

IUPAC2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCC(C)N(CC)CC(CBr)C(C)(C)C
InChIInChI=1S/C13H28BrN/c1-7-11(3)15(8-2)10-12(9-14)13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyZEELWDFYVKYVQO-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.16
Rot. Bonds6

About 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine

2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 65015773) has the molecular formula C13H28BrN and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID65015773
Molecular FormulaC13H28BrN
Molecular Weight278.28 g/mol
Exact Mass277.14
IUPAC Name2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCC(C)N(CC)CC(CBr)C(C)(C)C
InChIInChI=1S/C13H28BrN/c1-7-11(3)15(8-2)10-12(9-14)13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyZEELWDFYVKYVQO-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.16
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-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
N'-[2-(bromomethyl)-3,3-dimethylbutyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65015744
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine
CID 177354730
1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol
CID 79389539
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
CID 64997501
N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine
CID 65015584
2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine
CID 144740833
N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine
CID 55194447
3-(bromomethyl)-2,2,6,6-tetramethylheptane
CID 83143081
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine (CID 65015773) is 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine is CCC(C)N(CC)CC(CBr)C(C)(C)C.
What is the InChIKey of 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is ZEELWDFYVKYVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN/c1-7-11(3)15(8-2)10-12(9-14)13(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine?
2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 278.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 65015773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).