N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine

C10H22BrN — CID 83187023

IUPACN-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(CCBr)NCCC(C)(C)C
InChIInChI=1S/C10H22BrN/c1-9(5-7-11)12-8-6-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyVXGXBHDHXXYCDG-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.19
Rot. Bonds5

About N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine

N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 83187023) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID83187023
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC NameN-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(CCBr)NCCC(C)(C)C
InChIInChI=1S/C10H22BrN/c1-9(5-7-11)12-8-6-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyVXGXBHDHXXYCDG-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine (CID 83187023) is N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine is CC(CCBr)NCCC(C)(C)C.
What is the InChIKey of N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is VXGXBHDHXXYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-9(5-7-11)12-8-6-10(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine?
N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 236.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83187023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).