azane;1-bromo-3,3-diethylpentane

C9H22BrN — CID 174530333

IUPACazane;1-bromo-3,3-diethylpentane
SMILESCCC(CC)(CC)CCBr.N
InChIInChI=1S/C9H19Br.H3N/c1-4-9(5-2,6-3)7-8-10;/h4-8H2,1-3H3;1H3
InChIKeyICWZNLBSPHRXFD-UHFFFAOYSA-N
MW224.19 g/mol
LogP4.15
Rot. Bonds5

About azane;1-bromo-3,3-diethylpentane

azane;1-bromo-3,3-diethylpentane (PubChem CID 174530333) has the molecular formula C9H22BrN and a molecular weight of 224.19 g/mol. Its IUPAC name is azane;1-bromo-3,3-diethylpentane.

Molecular Properties

Compound Nameazane;1-bromo-3,3-diethylpentane
PubChem CID174530333
Molecular FormulaC9H22BrN
Molecular Weight224.19 g/mol
Exact Mass223.09
IUPAC Nameazane;1-bromo-3,3-diethylpentane
SMILESCCC(CC)(CC)CCBr.N
InChIInChI=1S/C9H19Br.H3N/c1-4-9(5-2,6-3)7-8-10;/h4-8H2,1-3H3;1H3
InChIKeyICWZNLBSPHRXFD-UHFFFAOYSA-N
XLogP4.15
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 54.15
H-Bond Donors ≤ 51
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 azane;1-bromo-3,3-diethylpentane?
The IUPAC name of azane;1-bromo-3,3-diethylpentane (CID 174530333) is azane;1-bromo-3,3-diethylpentane.
What is the SMILES notation for azane;1-bromo-3,3-diethylpentane?
The canonical SMILES for azane;1-bromo-3,3-diethylpentane is CCC(CC)(CC)CCBr.N.
What is the InChIKey of azane;1-bromo-3,3-diethylpentane?
The InChIKey is ICWZNLBSPHRXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br.H3N/c1-4-9(5-2,6-3)7-8-10;/h4-8H2,1-3H3;1H3.
What are the key properties of azane;1-bromo-3,3-diethylpentane?
azane;1-bromo-3,3-diethylpentane has a molecular weight of 224.19 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-bromo-3,3-diethylpentane is sourced from PubChem (CID 174530333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).