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

C15H27N3O2 — CID 107381495

IUPACN-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCOc1cnc(CNC(C)(C)C)cn1
InChIInChI=1S/C15H27N3O2/c1-5-6-7-19-8-9-20-14-12-16-13(10-17-14)11-18-15(2,3)4/h10,12,18H,5-9,11H2,1-4H3
InChIKeyBOKSFDONBUQFAR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.56
Rot. Bonds9

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

N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107381495) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107381495
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCOc1cnc(CNC(C)(C)C)cn1
InChIInChI=1S/C15H27N3O2/c1-5-6-7-19-8-9-20-14-12-16-13(10-17-14)11-18-15(2,3)4/h10,12,18H,5-9,11H2,1-4H3
InChIKeyBOKSFDONBUQFAR-UHFFFAOYSA-N
XLogP2.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
CID 107382552
2-methyl-N-[[6-(2-propoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 63685497
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
N-butyl-5-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 107378904
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
CID 107381539
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
6-(2-butoxyethoxy)pyridin-3-amine
CID 3031377
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107381999
N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290039
2-methyl-N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381292

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 107381495) is N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is CCCCOCCOc1cnc(CNC(C)(C)C)cn1.
What is the InChIKey of N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BOKSFDONBUQFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-6-7-19-8-9-20-14-12-16-13(10-17-14)11-18-15(2,3)4/h10,12,18H,5-9,11H2,1-4H3.
What are the key properties of N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107381495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).