2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine

C16H28N4 — CID 80854761

IUPAC2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-5-10-18-14-11-17-12-15(19-14)20(4)13-6-8-16(2,3)9-7-13/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyJPKFBVBEDPWQHZ-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.70
Rot. Bonds5

About 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine

2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine (PubChem CID 80854761) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine
PubChem CID80854761
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-5-10-18-14-11-17-12-15(19-14)20(4)13-6-8-16(2,3)9-7-13/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyJPKFBVBEDPWQHZ-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-(3-methylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80799805
2-N-cyclopentyl-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 80773857
N-cyclopropyl-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80943974
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838986
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80827748
6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789572
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80848440
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
3-[methyl-[6-(propylamino)pyrazin-2-yl]amino]butanenitrile
CID 80828763
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
CID 112667733
2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine (CID 80854761) is 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)C2CCC(C)(C)CC2)n1.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The InChIKey is JPKFBVBEDPWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-10-18-14-11-17-12-15(19-14)20(4)13-6-8-16(2,3)9-7-13/h11-13H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.70, 5 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-methyl-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).