copper;N,N-dimethylpyridin-4-amine;propyl hypobromite

C10H17BrCuN2O — CID 70454587

IUPACcopper;N,N-dimethylpyridin-4-amine;propyl hypobromite
SMILESCCCOBr.CN(C)c1ccncc1.[Cu]
InChIInChI=1S/C7H10N2.C3H7BrO.Cu/c1-9(2)7-3-5-8-6-4-7;1-2-3-5-4;/h3-6H,1-2H3;2-3H2,1H3;
InChIKeyDBQBASSRPAFCQH-UHFFFAOYSA-N
MW324.71 g/mol
LogP2.87
Rot. Bonds3

About copper;N,N-dimethylpyridin-4-amine;propyl hypobromite

copper;N,N-dimethylpyridin-4-amine;propyl hypobromite (PubChem CID 70454587) has the molecular formula C10H17BrCuN2O and a molecular weight of 324.71 g/mol. Its IUPAC name is copper;N,N-dimethylpyridin-4-amine;propyl hypobromite.

Molecular Properties

Compound Namecopper;N,N-dimethylpyridin-4-amine;propyl hypobromite
PubChem CID70454587
Molecular FormulaC10H17BrCuN2O
Molecular Weight324.71 g/mol
Exact Mass322.98
IUPAC Namecopper;N,N-dimethylpyridin-4-amine;propyl hypobromite
SMILESCCCOBr.CN(C)c1ccncc1.[Cu]
InChIInChI=1S/C7H10N2.C3H7BrO.Cu/c1-9(2)7-3-5-8-6-4-7;1-2-3-5-4;/h3-6H,1-2H3;2-3H2,1H3;
InChIKeyDBQBASSRPAFCQH-UHFFFAOYSA-N
XLogP2.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminopyridine
CID 1727
4-(Dimethylamino)pyridine
CID 14284
Ethylpyridinium bromide
CID 15927
N-Pyridin-4-ylacetamide
CID 21288
3-Methyl-4-pyridinamine
CID 74811
N,N-dimethylpyridine-2-ethylamine
CID 80554
4-(2-Phenyldiazenyl)pyridine
CID 17385
1-Butylpyridinium bromide
CID 2734238
4-Pyrrolidinopyridine
CID 75567
2-Pyridinealdoxime O-propyl ether
CID 9561242
4-(Methylamino)pyridine
CID 123098
2-(Diethylaminomethyl)-pyridine
CID 253822

Frequently Asked Questions

What is the IUPAC name of copper;N,N-dimethylpyridin-4-amine;propyl hypobromite?
The IUPAC name of copper;N,N-dimethylpyridin-4-amine;propyl hypobromite (CID 70454587) is copper;N,N-dimethylpyridin-4-amine;propyl hypobromite.
What is the SMILES notation for copper;N,N-dimethylpyridin-4-amine;propyl hypobromite?
The canonical SMILES for copper;N,N-dimethylpyridin-4-amine;propyl hypobromite is CCCOBr.CN(C)c1ccncc1.[Cu].
What is the InChIKey of copper;N,N-dimethylpyridin-4-amine;propyl hypobromite?
The InChIKey is DBQBASSRPAFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C3H7BrO.Cu/c1-9(2)7-3-5-8-6-4-7;1-2-3-5-4;/h3-6H,1-2H3;2-3H2,1H3;.
What are the key properties of copper;N,N-dimethylpyridin-4-amine;propyl hypobromite?
copper;N,N-dimethylpyridin-4-amine;propyl hypobromite has a molecular weight of 324.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N-dimethylpyridin-4-amine;propyl hypobromite is sourced from PubChem (CID 70454587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).