1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine

C12H21N3O — CID 105031969

IUPAC1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1nccnc1OC
InChIInChI=1S/C12H21N3O/c1-5-9(2)8-10(13-3)11-12(16-4)15-7-6-14-11/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyCCYMGPGMAVTEGV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds6

About 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine

1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine (PubChem CID 105031969) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine
PubChem CID105031969
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1nccnc1OC
InChIInChI=1S/C12H21N3O/c1-5-9(2)8-10(13-3)11-12(16-4)15-7-6-14-11/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyCCYMGPGMAVTEGV-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
1-(3-methoxypyrazin-2-yl)-N-methylpentan-1-amine
CID 104515877
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
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)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216154
[2-butan-2-ylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]hydrazine
CID 105227195
1-(3-methoxypyrazin-2-yl)-N-methyl-3-phenoxypropan-1-amine
CID 104515253
N-ethyl-4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 105178647
[2-methoxy-1-(3-methoxypyrazin-2-yl)ethyl]hydrazine
CID 105207269
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine (CID 105031969) is 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is CCYMGPGMAVTEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-9(2)8-10(13-3)11-12(16-4)15-7-6-14-11/h6-7,9-10,13H,5,8H2,1-4H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine?
1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.18, 6 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,3-dimethylpentan-1-amine is sourced from PubChem (CID 105031969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).