N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine

C13H22N4 — CID 107380493

IUPACN-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC(C)C(C)C2)cn1
InChIInChI=1S/C13H22N4/c1-4-14-5-12-6-16-13(7-15-12)17-8-10(2)11(3)9-17/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyJRJBHQPLCFAMMQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.68
Rot. Bonds4

About N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine

N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107380493) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
PubChem CID107380493
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC(C)C(C)C2)cn1
InChIInChI=1S/C13H22N4/c1-4-14-5-12-6-16-13(7-15-12)17-8-10(2)11(3)9-17/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyJRJBHQPLCFAMMQ-UHFFFAOYSA-N
XLogP1.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380838
N-[[5-(1,3-dihydroisoindol-2-yl)pyrazin-2-yl]methyl]ethanamine
CID 107378785
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379251
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378958
N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]ethanamine
CID 107381116
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379083
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine (CID 107380493) is N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(N2CC(C)C(C)C2)cn1.
What is the InChIKey of N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is JRJBHQPLCFAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-14-5-12-6-16-13(7-15-12)17-8-10(2)11(3)9-17/h6-7,10-11,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107380493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).