(4-azaniumyl-2,3-dimethylbutyl)azanium dichloride

C6H18Cl2N2 — CID 91480267

IUPAC(4-azaniumyl-2,3-dimethylbutyl)azanium dichloride
SMILESCC(C[NH3+])C(C)C[NH3+].[Cl-].[Cl-]
InChIInChI=1S/C6H16N2.2ClH/c1-5(3-7)6(2)4-8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H
InChIKeyBBKOOOURGDBEME-UHFFFAOYSA-N
MW189.13 g/mol
LogP-7.25
Rot. Bonds3

About (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride

(4-azaniumyl-2,3-dimethylbutyl)azanium dichloride (PubChem CID 91480267) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride.

Molecular Properties

Compound Name(4-azaniumyl-2,3-dimethylbutyl)azanium dichloride
PubChem CID91480267
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Name(4-azaniumyl-2,3-dimethylbutyl)azanium dichloride
SMILESCC(C[NH3+])C(C)C[NH3+].[Cl-].[Cl-]
InChIInChI=1S/C6H16N2.2ClH/c1-5(3-7)6(2)4-8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H
InChIKeyBBKOOOURGDBEME-UHFFFAOYSA-N
XLogP-7.25
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 5-7.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride?
The IUPAC name of (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride (CID 91480267) is (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride.
What is the SMILES notation for (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride?
The canonical SMILES for (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride is CC(C[NH3+])C(C)C[NH3+].[Cl-].[Cl-].
What is the InChIKey of (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride?
The InChIKey is BBKOOOURGDBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-5(3-7)6(2)4-8;;/h5-6H,3-4,7-8H2,1-2H3;2*1H.
What are the key properties of (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride?
(4-azaniumyl-2,3-dimethylbutyl)azanium dichloride has a molecular weight of 189.13 g/mol, XLogP of -7.25, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azaniumyl-2,3-dimethylbutyl)azanium dichloride is sourced from PubChem (CID 91480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).