[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine

C11H18N4 — CID 98085597

IUPAC[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1cnccn1)N1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N4/c1-9(11-7-13-3-4-14-11)15-5-2-10(6-12)8-15/h3-4,7,9-10H,2,5-6,8,12H2,1H3/t9-,10-/m0/s1
InChIKeyDOGVBFXHVIVBEO-UWVGGRQHSA-N
MW206.29 g/mol
LogP0.82
Rot. Bonds3

About [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine

[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine (PubChem CID 98085597) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
PubChem CID98085597
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1cnccn1)N1CC[C@@H](CN)C1
InChIInChI=1S/C11H18N4/c1-9(11-7-13-3-4-14-11)15-5-2-10(6-12)8-15/h3-4,7,9-10H,2,5-6,8,12H2,1H3/t9-,10-/m0/s1
InChIKeyDOGVBFXHVIVBEO-UWVGGRQHSA-N
XLogP0.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine (CID 98085597) is [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine is C[C@@H](c1cnccn1)N1CC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is DOGVBFXHVIVBEO-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(11-7-13-3-4-14-11)15-5-2-10(6-12)8-15/h3-4,7,9-10H,2,5-6,8,12H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 98085597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).