N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C17H31N3O — CID 107381509

IUPACN-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCC(CC)COc1cnc(CNCC(C)C)cn1
InChIInChI=1S/C17H31N3O/c1-5-7-8-15(6-2)13-21-17-12-19-16(11-20-17)10-18-9-14(3)4/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyHPSIRPABRKKESF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.82
Rot. Bonds11

About N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107381509) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107381509
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCC(CC)COc1cnc(CNCC(C)C)cn1
InChIInChI=1S/C17H31N3O/c1-5-7-8-15(6-2)13-21-17-12-19-16(11-20-17)10-18-9-14(3)4/h11-12,14-15,18H,5-10,13H2,1-4H3
InChIKeyHPSIRPABRKKESF-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
CID 107381539
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
N-[[6-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66450602
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N,N-dimethyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378992
2-methyl-N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107381426
2-methyl-N-[[5-(oxan-4-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381295
N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381977
6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
CID 107816753
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 107381509) is N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CCCCC(CC)COc1cnc(CNCC(C)C)cn1.
What is the InChIKey of N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HPSIRPABRKKESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-7-8-15(6-2)13-21-17-12-19-16(11-20-17)10-18-9-14(3)4/h11-12,14-15,18H,5-10,13H2,1-4H3.
What are the key properties of N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylhexoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107381509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).