trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine

C12H20N4 — CID 93453704

IUPACtrans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
SMILESCc1cnc(C)c(N[C@@H]2CCCC[C@H]2N)n1
InChIInChI=1S/C12H20N4/c1-8-7-14-9(2)12(15-8)16-11-6-4-3-5-10(11)13/h7,10-11H,3-6,13H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyPPBQUAARYGVQLF-GHMZBOCLSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds2

About trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine (PubChem CID 93453704) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
PubChem CID93453704
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Nametrans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
SMILESCc1cnc(C)c(N[C@@H]2CCCC[C@H]2N)n1
InChIInChI=1S/C12H20N4/c1-8-7-14-9(2)12(15-8)16-11-6-4-3-5-10(11)13/h7,10-11H,3-6,13H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyPPBQUAARYGVQLF-GHMZBOCLSA-N
XLogP1.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine (CID 93453704) is trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine is Cc1cnc(C)c(N[C@@H]2CCCC[C@H]2N)n1.
What is the InChIKey of trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is PPBQUAARYGVQLF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-7-14-9(2)12(15-8)16-11-6-4-3-5-10(11)13/h7,10-11H,3-6,13H2,1-2H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 93453704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).