tris(N,N-dimethylpyridin-4-amine);trihydrobromide

C21H33Br3N6 — CID 68567794

IUPACtris(N,N-dimethylpyridin-4-amine);trihydrobromide
SMILESBr.Br.Br.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1
InChIInChI=1S/3C7H10N2.3BrH/c3*1-9(2)7-3-5-8-6-4-7;;;/h3*3-6H,1-2H3;3*1H
InChIKeyYTZHNBFMBHMUSE-UHFFFAOYSA-N
MW609.25 g/mol
LogP5.18
Rot. Bonds3

About tris(N,N-dimethylpyridin-4-amine);trihydrobromide

tris(N,N-dimethylpyridin-4-amine);trihydrobromide (PubChem CID 68567794) has the molecular formula C21H33Br3N6 and a molecular weight of 609.25 g/mol. Its IUPAC name is tris(N,N-dimethylpyridin-4-amine);trihydrobromide.

Molecular Properties

Compound Nametris(N,N-dimethylpyridin-4-amine);trihydrobromide
PubChem CID68567794
Molecular FormulaC21H33Br3N6
Molecular Weight609.25 g/mol
Exact Mass606.03
IUPAC Nametris(N,N-dimethylpyridin-4-amine);trihydrobromide
SMILESBr.Br.Br.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1
InChIInChI=1S/3C7H10N2.3BrH/c3*1-9(2)7-3-5-8-6-4-7;;;/h3*3-6H,1-2H3;3*1H
InChIKeyYTZHNBFMBHMUSE-UHFFFAOYSA-N
XLogP5.18
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethylpyridin-4-amine
CID 14284
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
acetonitrile;N,N-dimethylpyridin-4-amine
CID 160806419
N,N-dimethylpyridin-4-amine;octane;dihydrobromide
CID 174752520
N,N-dimethylpyridin-4-amine;triethylborane
CID 159448886
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454
2-deuterio-N,N-dimethylpyridin-4-amine
CID 10942410
N,N-dimethylpyridin-4-amine;oxolane
CID 67021647
N,N-dimethylpyridin-4-amine;pyrazine;pyridine;pyrimidine
CID 158848169
N,N-dimethylcyclohexanamine;N,N-dimethylpyridin-4-amine
CID 22238099

Frequently Asked Questions

What is the IUPAC name of tris(N,N-dimethylpyridin-4-amine);trihydrobromide?
The IUPAC name of tris(N,N-dimethylpyridin-4-amine);trihydrobromide (CID 68567794) is tris(N,N-dimethylpyridin-4-amine);trihydrobromide.
What is the SMILES notation for tris(N,N-dimethylpyridin-4-amine);trihydrobromide?
The canonical SMILES for tris(N,N-dimethylpyridin-4-amine);trihydrobromide is Br.Br.Br.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.
What is the InChIKey of tris(N,N-dimethylpyridin-4-amine);trihydrobromide?
The InChIKey is YTZHNBFMBHMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H10N2.3BrH/c3*1-9(2)7-3-5-8-6-4-7;;;/h3*3-6H,1-2H3;3*1H.
What are the key properties of tris(N,N-dimethylpyridin-4-amine);trihydrobromide?
tris(N,N-dimethylpyridin-4-amine);trihydrobromide has a molecular weight of 609.25 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N,N-dimethylpyridin-4-amine);trihydrobromide is sourced from PubChem (CID 68567794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).