trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride

C8H20Cl2N2 — CID 46941649

IUPACtrans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
SMILESCN(C)[C@H]1CCCC[C@@H]1N.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h7-8H,3-6,9H2,1-2H3;2*1H/t7-,8-;;/m0../s1
InChIKeyBZJVMZDYSWJIIG-FOMWZSOGSA-N
MW215.17 g/mol
LogP1.66
Rot. Bonds1

About trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride

trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride (PubChem CID 46941649) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
PubChem CID46941649
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Nametrans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
SMILESCN(C)[C@H]1CCCC[C@@H]1N.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h7-8H,3-6,9H2,1-2H3;2*1H/t7-,8-;;/m0../s1
InChIKeyBZJVMZDYSWJIIG-FOMWZSOGSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride?
The IUPAC name of trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride (CID 46941649) is trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride?
The canonical SMILES for trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride is CN(C)[C@H]1CCCC[C@@H]1N.Cl.Cl.
What is the InChIKey of trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride?
The InChIKey is BZJVMZDYSWJIIG-FOMWZSOGSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h7-8H,3-6,9H2,1-2H3;2*1H/t7-,8-;;/m0../s1.
What are the key properties of trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride?
trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 46941649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).