N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

C17H31N3O — CID 66450602

IUPACN-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)COc1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C17H31N3O/c1-6-8-9-14(7-2)13-21-16-12-18-10-15(20-16)11-19-17(3,4)5/h10,12,14,19H,6-9,11,13H2,1-5H3
InChIKeyNCWXNZCZTMHXHA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.96
Rot. Bonds9

About N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66450602) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66450602
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)COc1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C17H31N3O/c1-6-8-9-14(7-2)13-21-16-12-18-10-15(20-16)11-19-17(3,4)5/h10,12,14,19H,6-9,11,13H2,1-5H3
InChIKeyNCWXNZCZTMHXHA-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[6-[(tert-butylamino)methyl]pyrazin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79678942
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451944
N-[(6-but-3-enoxypyrazin-2-yl)methyl]-2-methylpropan-2-amine
CID 66451941
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
CID 63446521
N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381509
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66450992
2-methyl-N-[[6-(2-thiophen-2-ylethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66465894
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 66456793
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 66450602) is N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is CCCCC(CC)COc1cncc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NCWXNZCZTMHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-8-9-14(7-2)13-21-16-12-18-10-15(20-16)11-19-17(3,4)5/h10,12,14,19H,6-9,11,13H2,1-5H3.
What are the key properties of N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66450602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).