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

C7H16BrN — CID 65000783

IUPAC2-(bromomethyl)-N,N-dimethylbutan-1-amine
SMILESCCC(CBr)CN(C)C
InChIInChI=1S/C7H16BrN/c1-4-7(5-8)6-9(2)3/h7H,4-6H2,1-3H3
InChIKeyODIOKGUEOQHAOG-UHFFFAOYSA-N
MW194.12 g/mol
LogP1.97
Rot. Bonds4

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

2-(bromomethyl)-N,N-dimethylbutan-1-amine (PubChem CID 65000783) has the molecular formula C7H16BrN and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-(bromomethyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,N-dimethylbutan-1-amine
PubChem CID65000783
Molecular FormulaC7H16BrN
Molecular Weight194.12 g/mol
Exact Mass193.05
IUPAC Name2-(bromomethyl)-N,N-dimethylbutan-1-amine
SMILESCCC(CBr)CN(C)C
InChIInChI=1S/C7H16BrN/c1-4-7(5-8)6-9(2)3/h7H,4-6H2,1-3H3
InChIKeyODIOKGUEOQHAOG-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,N-dimethylbutan-1-amine (CID 65000783) is 2-(bromomethyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,N-dimethylbutan-1-amine is CCC(CBr)CN(C)C.
What is the InChIKey of 2-(bromomethyl)-N,N-dimethylbutan-1-amine?
The InChIKey is ODIOKGUEOQHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrN/c1-4-7(5-8)6-9(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N,N-dimethylbutan-1-amine?
2-(bromomethyl)-N,N-dimethylbutan-1-amine has a molecular weight of 194.12 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 65000783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).