1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine

C16H29N3O — CID 105032040

IUPAC1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1nccnc1OC
InChIInChI=1S/C16H29N3O/c1-4-5-6-7-8-9-10-11-14(17-2)15-16(20-3)19-13-12-18-15/h12-14,17H,4-11H2,1-3H3
InChIKeyXGVASXUICUUSJH-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.89
Rot. Bonds11

About 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine

1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine (PubChem CID 105032040) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
PubChem CID105032040
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1nccnc1OC
InChIInChI=1S/C16H29N3O/c1-4-5-6-7-8-9-10-11-14(17-2)15-16(20-3)19-13-12-18-15/h12-14,17H,4-11H2,1-3H3
InChIKeyXGVASXUICUUSJH-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methylpentan-1-amine
CID 104515877
1-(3-methoxypyrazin-2-yl)nonylhydrazine
CID 105332689
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine
CID 105031969
1-(3-methoxypyrazin-2-yl)-N-methyl-3-phenoxypropan-1-amine
CID 104515253
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880
[4-chloro-1-(3-methoxypyrazin-2-yl)butyl]hydrazine
CID 105235678
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine (CID 105032040) is 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine?
The InChIKey is XGVASXUICUUSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-5-6-7-8-9-10-11-14(17-2)15-16(20-3)19-13-12-18-15/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine?
1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine is sourced from PubChem (CID 105032040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).