bis[2-(dimethylazaniumyl)ethyl]-methylazanium

C9H26N3+3 — CID 6994338

IUPACbis[2-(dimethylazaniumyl)ethyl]-methylazanium
SMILESC[NH+](C)CC[NH+](C)CC[NH+](C)C
InChIInChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3/p+3
InChIKeyUKODFQOELJFMII-UHFFFAOYSA-Q
MW176.33 g/mol
LogP-4.21
Rot. Bonds6

About bis[2-(dimethylazaniumyl)ethyl]-methylazanium

bis[2-(dimethylazaniumyl)ethyl]-methylazanium (PubChem CID 6994338) has the molecular formula C9H26N3+3 and a molecular weight of 176.33 g/mol. Its IUPAC name is bis[2-(dimethylazaniumyl)ethyl]-methylazanium.

Molecular Properties

Compound Namebis[2-(dimethylazaniumyl)ethyl]-methylazanium
PubChem CID6994338
Molecular FormulaC9H26N3+3
Molecular Weight176.33 g/mol
Exact Mass176.21
IUPAC Namebis[2-(dimethylazaniumyl)ethyl]-methylazanium
SMILESC[NH+](C)CC[NH+](C)CC[NH+](C)C
InChIInChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3/p+3
InChIKeyUKODFQOELJFMII-UHFFFAOYSA-Q
XLogP-4.21
TPSA13.32 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 5-4.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis[2-(dimethylazaniumyl)ethyl]-methylazanium?
The IUPAC name of bis[2-(dimethylazaniumyl)ethyl]-methylazanium (CID 6994338) is bis[2-(dimethylazaniumyl)ethyl]-methylazanium.
What is the SMILES notation for bis[2-(dimethylazaniumyl)ethyl]-methylazanium?
The canonical SMILES for bis[2-(dimethylazaniumyl)ethyl]-methylazanium is C[NH+](C)CC[NH+](C)CC[NH+](C)C.
What is the InChIKey of bis[2-(dimethylazaniumyl)ethyl]-methylazanium?
The InChIKey is UKODFQOELJFMII-UHFFFAOYSA-Q. The full InChI is InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3/p+3.
What are the key properties of bis[2-(dimethylazaniumyl)ethyl]-methylazanium?
bis[2-(dimethylazaniumyl)ethyl]-methylazanium has a molecular weight of 176.33 g/mol, XLogP of -4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dimethylazaniumyl)ethyl]-methylazanium is sourced from PubChem (CID 6994338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).