N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine

C13H23N3O3 — CID 107382552

IUPACN-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(OCCCOCCOC)cn1
InChIInChI=1S/C13H23N3O3/c1-3-14-9-12-10-16-13(11-15-12)19-6-4-5-18-8-7-17-2/h10-11,14H,3-9H2,1-2H3
InChIKeyBEQBCGSCWRKYCR-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.02
Rot. Bonds11

About N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine

N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine (PubChem CID 107382552) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
PubChem CID107382552
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(OCCCOCCOC)cn1
InChIInChI=1S/C13H23N3O3/c1-3-14-9-12-10-16-13(11-15-12)19-6-4-5-18-8-7-17-2/h10-11,14H,3-9H2,1-2H3
InChIKeyBEQBCGSCWRKYCR-UHFFFAOYSA-N
XLogP1.02
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methyl]ethanamine
CID 103405635
methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
CID 114059688
N-[[5-(2-butoxyethoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107381495
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
N-[[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 103180865
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrazin-2-amine
CID 107379629
N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
CID 107381539
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine (CID 107382552) is N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(OCCCOCCOC)cn1.
What is the InChIKey of N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is BEQBCGSCWRKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-14-9-12-10-16-13(11-15-12)19-6-4-5-18-8-7-17-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine?
N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 269.34 g/mol, XLogP of 1.02, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107382552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).