N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine

C21H23N3O — CID 70607808

IUPACN,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine
SMILESCc1nccnc1OC(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-17-21(23-14-13-22-17)25-18(2)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,18H,15-16H2,1-2H3
InChIKeyAJMMLEJROLYQAH-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.21
Rot. Bonds7

About N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine

N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine (PubChem CID 70607808) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine
PubChem CID70607808
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine
SMILESCc1nccnc1OC(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-17-21(23-14-13-22-17)25-18(2)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,18H,15-16H2,1-2H3
InChIKeyAJMMLEJROLYQAH-UHFFFAOYSA-N
XLogP4.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine?
The IUPAC name of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine (CID 70607808) is N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine.
What is the SMILES notation for N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine?
The canonical SMILES for N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine is Cc1nccnc1OC(C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine?
The InChIKey is AJMMLEJROLYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-21(23-14-13-22-17)25-18(2)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,18H,15-16H2,1-2H3.
What are the key properties of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine?
N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine has a molecular weight of 333.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine is sourced from PubChem (CID 70607808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).