2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine

C13H22N4 — CID 80653292

IUPAC2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
SMILESCN(c1cnc(N)cn1)C1CCC(C)(C)CC1
InChIInChI=1S/C13H22N4/c1-13(2)6-4-10(5-7-13)17(3)12-9-15-11(14)8-16-12/h8-10H,4-7H2,1-3H3,(H2,14,15)
InChIKeyFMJCBINVYDURDE-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.46
Rot. Bonds2

About 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine

2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine (PubChem CID 80653292) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
PubChem CID80653292
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
SMILESCN(c1cnc(N)cn1)C1CCC(C)(C)CC1
InChIInChI=1S/C13H22N4/c1-13(2)6-4-10(5-7-13)17(3)12-9-15-11(14)8-16-12/h8-10H,4-7H2,1-3H3,(H2,14,15)
InChIKeyFMJCBINVYDURDE-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine (CID 80653292) is 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine is CN(c1cnc(N)cn1)C1CCC(C)(C)CC1.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine?
The InChIKey is FMJCBINVYDURDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2)6-4-10(5-7-13)17(3)12-9-15-11(14)8-16-12/h8-10H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine?
2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine is sourced from PubChem (CID 80653292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).