bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride

C24H40Cl2N2 — CID 139074965

IUPACbis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
SMILESCC(C)c1cccc(C(C)C)c1[NH3+].CC(C)c1cccc(C(C)C)c1[NH3+].[Cl-].[Cl-]
InChIInChI=1S/2C12H19N.2ClH/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h2*5-9H,13H2,1-4H3;2*1H
InChIKeySMKLBHHBGKLDBB-UHFFFAOYSA-N
MW427.50 g/mol
LogP-0.38
Rot. Bonds4

About bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride

bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride (PubChem CID 139074965) has the molecular formula C24H40Cl2N2 and a molecular weight of 427.50 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride.

Molecular Properties

Compound Namebis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
PubChem CID139074965
Molecular FormulaC24H40Cl2N2
Molecular Weight427.50 g/mol
Exact Mass426.26
IUPAC Namebis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
SMILESCC(C)c1cccc(C(C)C)c1[NH3+].CC(C)c1cccc(C(C)C)c1[NH3+].[Cl-].[Cl-]
InChIInChI=1S/2C12H19N.2ClH/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h2*5-9H,13H2,1-4H3;2*1H
InChIKeySMKLBHHBGKLDBB-UHFFFAOYSA-N
XLogP-0.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
CID 136741886
CID 136741886
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis[2,6-di(propan-2-yl)phenyl]phosphanide
CID 139171604
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
1-methanidyl-2-propan-2-ylbenzene;yttrium
CID 58239452
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957

Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride?
The IUPAC name of bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride (CID 139074965) is bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride.
What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride?
The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride is CC(C)c1cccc(C(C)C)c1[NH3+].CC(C)c1cccc(C(C)C)c1[NH3+].[Cl-].[Cl-].
What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride?
The InChIKey is SMKLBHHBGKLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19N.2ClH/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h2*5-9H,13H2,1-4H3;2*1H.
What are the key properties of bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride?
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride has a molecular weight of 427.50 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride is sourced from PubChem (CID 139074965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).