N-(bromomethyl)-2,2-dimethylbutan-1-amine

C7H16BrN — CID 115262494

IUPACN-(bromomethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCBr
InChIInChI=1S/C7H16BrN/c1-4-7(2,3)5-9-6-8/h9H,4-6H2,1-3H3
InChIKeyGKOJHWOWGJLBRJ-UHFFFAOYSA-N
MW194.12 g/mol
LogP2.36
Rot. Bonds4

About N-(bromomethyl)-2,2-dimethylbutan-1-amine

N-(bromomethyl)-2,2-dimethylbutan-1-amine (PubChem CID 115262494) has the molecular formula C7H16BrN and a molecular weight of 194.12 g/mol. Its IUPAC name is N-(bromomethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2,2-dimethylbutan-1-amine
PubChem CID115262494
Molecular FormulaC7H16BrN
Molecular Weight194.12 g/mol
Exact Mass193.05
IUPAC NameN-(bromomethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCBr
InChIInChI=1S/C7H16BrN/c1-4-7(2,3)5-9-6-8/h9H,4-6H2,1-3H3
InChIKeyGKOJHWOWGJLBRJ-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(iodomethyl)-2,2-dimethylbutan-1-amine
CID 163962700
N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen
CID 145404528
N-(2,2-dimethylbutyl)-2,2-dimethylpentan-1-amine
CID 88877913
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
1-N-(2,2-dimethylbutyl)butane-1,3-diamine
CID 103462116
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
CID 163239092
2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
CID 115121008
3,3-dimethylpentane;ethane;methanol
CID 144527462
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
CID 103462177
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(bromomethyl)-2,2-dimethylbutan-1-amine (CID 115262494) is N-(bromomethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(bromomethyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCBr.
What is the InChIKey of N-(bromomethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is GKOJHWOWGJLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrN/c1-4-7(2,3)5-9-6-8/h9H,4-6H2,1-3H3.
What are the key properties of N-(bromomethyl)-2,2-dimethylbutan-1-amine?
N-(bromomethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 194.12 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 115262494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).