N-ethyl-6-octan-2-yloxypyrazin-2-amine

C14H25N3O — CID 80861950

IUPACN-ethyl-6-octan-2-yloxypyrazin-2-amine
SMILESCCCCCCC(C)Oc1cncc(NCC)n1
InChIInChI=1S/C14H25N3O/c1-4-6-7-8-9-12(3)18-14-11-15-10-13(17-14)16-5-2/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyNUKLOKNQZSQLEM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.65
Rot. Bonds9

About N-ethyl-6-octan-2-yloxypyrazin-2-amine

N-ethyl-6-octan-2-yloxypyrazin-2-amine (PubChem CID 80861950) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-6-octan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-octan-2-yloxypyrazin-2-amine
PubChem CID80861950
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-6-octan-2-yloxypyrazin-2-amine
SMILESCCCCCCC(C)Oc1cncc(NCC)n1
InChIInChI=1S/C14H25N3O/c1-4-6-7-8-9-12(3)18-14-11-15-10-13(17-14)16-5-2/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyNUKLOKNQZSQLEM-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.65
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

6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
CID 80861672
N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
CID 80842189
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719634
N-ethyl-6-(4-methylcyclohexyl)oxypyrazin-2-amine
CID 80858436
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
6-pentan-2-yloxypyrazin-2-amine
CID 102988494
N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
CID 80861953
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-octan-2-yloxypyrazin-2-amine?
The IUPAC name of N-ethyl-6-octan-2-yloxypyrazin-2-amine (CID 80861950) is N-ethyl-6-octan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-octan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-ethyl-6-octan-2-yloxypyrazin-2-amine is CCCCCCC(C)Oc1cncc(NCC)n1.
What is the InChIKey of N-ethyl-6-octan-2-yloxypyrazin-2-amine?
The InChIKey is NUKLOKNQZSQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-7-8-9-12(3)18-14-11-15-10-13(17-14)16-5-2/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-6-octan-2-yloxypyrazin-2-amine?
N-ethyl-6-octan-2-yloxypyrazin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-octan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 80861950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).