3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine

C12H21N3O — CID 104516432

IUPAC3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1nccnc1OC
InChIInChI=1S/C12H21N3O/c1-4-5-13-9-10(2)8-11-12(16-3)15-7-6-14-11/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyKYAIBYOJXSINJU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.66
Rot. Bonds7

About 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine

3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 104516432) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID104516432
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1nccnc1OC
InChIInChI=1S/C12H21N3O/c1-4-5-13-9-10(2)8-11-12(16-3)15-7-6-14-11/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyKYAIBYOJXSINJU-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.66
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

3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine
CID 65293399
N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine
CID 66569579
3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
CID 104516398
3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
2-decyl-3-methoxypyrazine
CID 528301
3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 104516794
2-(iodomethyl)-3-methoxypyrazine
CID 174942843
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 104516737
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine (CID 104516432) is 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1nccnc1OC.
What is the InChIKey of 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is KYAIBYOJXSINJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-13-9-10(2)8-11-12(16-3)15-7-6-14-11/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine?
3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 104516432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).