N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

C13H22N4 — CID 112700198

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1cnc(CNC(C)CN2CCCC2)cn1
InChIInChI=1S/C13H22N4/c1-11-7-16-13(8-14-11)9-15-12(2)10-17-5-3-4-6-17/h7-8,12,15H,3-6,9-10H2,1-2H3
InChIKeyDCXDDRYGCUAGSF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds5

About N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 112700198) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID112700198
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1cnc(CNC(C)CN2CCCC2)cn1
InChIInChI=1S/C13H22N4/c1-11-7-16-13(8-14-11)9-15-12(2)10-17-5-3-4-6-17/h7-8,12,15H,3-6,9-10H2,1-2H3
InChIKeyDCXDDRYGCUAGSF-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 112700198) is N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1cnc(CNC(C)CN2CCCC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is DCXDDRYGCUAGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-7-16-13(8-14-11)9-15-12(2)10-17-5-3-4-6-17/h7-8,12,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 112700198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).