azane;4-(bromomethyl)octane

C9H22BrN — CID 88699989

IUPACazane;4-(bromomethyl)octane
SMILESCCCCC(CBr)CCC.N
InChIInChI=1S/C9H19Br.H3N/c1-3-5-7-9(8-10)6-4-2;/h9H,3-8H2,1-2H3;1H3
InChIKeyIFBZQYKVNOZOOF-UHFFFAOYSA-N
MW224.19 g/mol
LogP4.15
Rot. Bonds6

About azane;4-(bromomethyl)octane

azane;4-(bromomethyl)octane (PubChem CID 88699989) has the molecular formula C9H22BrN and a molecular weight of 224.19 g/mol. Its IUPAC name is azane;4-(bromomethyl)octane.

Molecular Properties

Compound Nameazane;4-(bromomethyl)octane
PubChem CID88699989
Molecular FormulaC9H22BrN
Molecular Weight224.19 g/mol
Exact Mass223.09
IUPAC Nameazane;4-(bromomethyl)octane
SMILESCCCCC(CBr)CCC.N
InChIInChI=1S/C9H19Br.H3N/c1-3-5-7-9(8-10)6-4-2;/h9H,3-8H2,1-2H3;1H3
InChIKeyIFBZQYKVNOZOOF-UHFFFAOYSA-N
XLogP4.15
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Related Compounds

4-(bromomethyl)octane
CID 24880888
4-(bromomethyl)tridecane
CID 66049847
(5S)-5-(bromomethyl)undecane
CID 86333132
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093
6-butyl-4,8-dipropylundecane
CID 158410657
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
ethane;2-methyl-5-propylnonane
CID 171073854
azane;5-butyldecane
CID 118324151
4,5-dipropylnonane;5-propylnonane
CID 157465342

Frequently Asked Questions

What is the IUPAC name of azane;4-(bromomethyl)octane?
The IUPAC name of azane;4-(bromomethyl)octane (CID 88699989) is azane;4-(bromomethyl)octane.
What is the SMILES notation for azane;4-(bromomethyl)octane?
The canonical SMILES for azane;4-(bromomethyl)octane is CCCCC(CBr)CCC.N.
What is the InChIKey of azane;4-(bromomethyl)octane?
The InChIKey is IFBZQYKVNOZOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br.H3N/c1-3-5-7-9(8-10)6-4-2;/h9H,3-8H2,1-2H3;1H3.
What are the key properties of azane;4-(bromomethyl)octane?
azane;4-(bromomethyl)octane has a molecular weight of 224.19 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(bromomethyl)octane is sourced from PubChem (CID 88699989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).