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

C13H23N3O — CID 113421622

IUPAC1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1nccnc1OC
InChIInChI=1S/C13H23N3O/c1-4-6-7-11(14-8-5-2)12-13(17-3)16-10-9-15-12/h9-11,14H,4-8H2,1-3H3
InChIKeySQGYYHBUBKQXNQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.72
Rot. Bonds8

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

1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine (PubChem CID 113421622) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
PubChem CID113421622
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1nccnc1OC
InChIInChI=1S/C13H23N3O/c1-4-6-7-11(14-8-5-2)12-13(17-3)16-10-9-15-12/h9-11,14H,4-8H2,1-3H3
InChIKeySQGYYHBUBKQXNQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methylpentan-1-amine
CID 104515877
1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
CID 105032040
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
1-(3-methoxypyrazin-2-yl)nonylhydrazine
CID 105332689
N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 104515657
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880
N-[1-(3-methoxypyrazin-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 104515448
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144
N-ethyl-4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 105178647

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine (CID 113421622) is 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine is CCCCC(NCCC)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine?
The InChIKey is SQGYYHBUBKQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-7-11(14-8-5-2)12-13(17-3)16-10-9-15-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine?
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.72, 8 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-propylpentan-1-amine is sourced from PubChem (CID 113421622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).