2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine

C11H20N4 — CID 80817416

IUPAC2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine
SMILESCCCC(CC)Nc1cncc(NC)n1
InChIInChI=1S/C11H20N4/c1-4-6-9(5-2)14-11-8-13-7-10(12-3)15-11/h7-9H,4-6H2,1-3H3,(H2,12,14,15)
InChIKeyZCQAHFNCHPBAHG-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.51
Rot. Bonds6

About 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine

2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine (PubChem CID 80817416) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine
PubChem CID80817416
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine
SMILESCCCC(CC)Nc1cncc(NC)n1
InChIInChI=1S/C11H20N4/c1-4-6-9(5-2)14-11-8-13-7-10(12-3)15-11/h7-9H,4-6H2,1-3H3,(H2,12,14,15)
InChIKeyZCQAHFNCHPBAHG-UHFFFAOYSA-N
XLogP2.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-3-yl-6-methylpyrazin-2-amine
CID 143718036
6-(hexan-3-ylamino)pyrazine-2-carboxylic acid
CID 66449518
2-N-(3-ethylpentan-2-yl)-6-N-methylpyrazine-2,6-diamine
CID 80846039
2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
CID 106028710
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
N-hexan-3-ylpyrimidin-4-amine
CID 62117651
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
6-N-hexan-3-ylpyridine-2,6-diamine
CID 80647513
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
6-N-hexan-3-ylpyridine-2,3,6-triamine
CID 79826041
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389

Frequently Asked Questions

What is the IUPAC name of 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine (CID 80817416) is 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine is CCCC(CC)Nc1cncc(NC)n1.
What is the InChIKey of 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine?
The InChIKey is ZCQAHFNCHPBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-6-9(5-2)14-11-8-13-7-10(12-3)15-11/h7-9H,4-6H2,1-3H3,(H2,12,14,15).
What are the key properties of 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine?
2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80817416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).