azane;methane;dihydrochloride

C8H37Cl2N — CID 174355602

IUPACazane;methane;dihydrochloride
SMILESC.C.C.C.C.C.C.C.Cl.Cl.N
InChIInChI=1S/8CH4.2ClH.H3N/h8*1H4;2*1H;1H3
InChIKeyXCKGPQBZHPUGCJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP6.09
Rot. Bonds

About azane;methane;dihydrochloride

azane;methane;dihydrochloride (PubChem CID 174355602) has the molecular formula C8H37Cl2N and a molecular weight of 218.30 g/mol. Its IUPAC name is azane;methane;dihydrochloride.

Molecular Properties

Compound Nameazane;methane;dihydrochloride
PubChem CID174355602
Molecular FormulaC8H37Cl2N
Molecular Weight218.30 g/mol
Exact Mass217.23
IUPAC Nameazane;methane;dihydrochloride
SMILESC.C.C.C.C.C.C.C.Cl.Cl.N
InChIInChI=1S/8CH4.2ClH.H3N/h8*1H4;2*1H;1H3
InChIKeyXCKGPQBZHPUGCJ-UHFFFAOYSA-N
XLogP6.09
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.30
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;methane;dihydrochloride?
The IUPAC name of azane;methane;dihydrochloride (CID 174355602) is azane;methane;dihydrochloride.
What is the SMILES notation for azane;methane;dihydrochloride?
The canonical SMILES for azane;methane;dihydrochloride is C.C.C.C.C.C.C.C.Cl.Cl.N.
What is the InChIKey of azane;methane;dihydrochloride?
The InChIKey is XCKGPQBZHPUGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/8CH4.2ClH.H3N/h8*1H4;2*1H;1H3.
What are the key properties of azane;methane;dihydrochloride?
azane;methane;dihydrochloride has a molecular weight of 218.30 g/mol, XLogP of 6.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;dihydrochloride is sourced from PubChem (CID 174355602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).