azane;5-bromo-1-chloro-5,6-dimethylhexadecane

C18H39BrClN — CID 87853474

IUPACazane;5-bromo-1-chloro-5,6-dimethylhexadecane
SMILESCCCCCCCCCCC(C)C(C)(Br)CCCCCl.N
InChIInChI=1S/C18H36BrCl.H3N/c1-4-5-6-7-8-9-10-11-14-17(2)18(3,19)15-12-13-16-20;/h17H,4-16H2,1-3H3;1H3
InChIKeyGMYGEAMFMURFDQ-UHFFFAOYSA-N
MW384.87 g/mol
LogP7.88
Rot. Bonds14

About azane;5-bromo-1-chloro-5,6-dimethylhexadecane

azane;5-bromo-1-chloro-5,6-dimethylhexadecane (PubChem CID 87853474) has the molecular formula C18H39BrClN and a molecular weight of 384.87 g/mol. Its IUPAC name is azane;5-bromo-1-chloro-5,6-dimethylhexadecane.

Molecular Properties

Compound Nameazane;5-bromo-1-chloro-5,6-dimethylhexadecane
PubChem CID87853474
Molecular FormulaC18H39BrClN
Molecular Weight384.87 g/mol
Exact Mass383.20
IUPAC Nameazane;5-bromo-1-chloro-5,6-dimethylhexadecane
SMILESCCCCCCCCCCC(C)C(C)(Br)CCCCCl.N
InChIInChI=1S/C18H36BrCl.H3N/c1-4-5-6-7-8-9-10-11-14-17(2)18(3,19)15-12-13-16-20;/h17H,4-16H2,1-3H3;1H3
InChIKeyGMYGEAMFMURFDQ-UHFFFAOYSA-N
XLogP7.88
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;5-bromo-1-chloro-5,6-dimethylhexadecane?
The IUPAC name of azane;5-bromo-1-chloro-5,6-dimethylhexadecane (CID 87853474) is azane;5-bromo-1-chloro-5,6-dimethylhexadecane.
What is the SMILES notation for azane;5-bromo-1-chloro-5,6-dimethylhexadecane?
The canonical SMILES for azane;5-bromo-1-chloro-5,6-dimethylhexadecane is CCCCCCCCCCC(C)C(C)(Br)CCCCCl.N.
What is the InChIKey of azane;5-bromo-1-chloro-5,6-dimethylhexadecane?
The InChIKey is GMYGEAMFMURFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrCl.H3N/c1-4-5-6-7-8-9-10-11-14-17(2)18(3,19)15-12-13-16-20;/h17H,4-16H2,1-3H3;1H3.
What are the key properties of azane;5-bromo-1-chloro-5,6-dimethylhexadecane?
azane;5-bromo-1-chloro-5,6-dimethylhexadecane has a molecular weight of 384.87 g/mol, XLogP of 7.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-bromo-1-chloro-5,6-dimethylhexadecane is sourced from PubChem (CID 87853474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).