N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine

C13H22N4 — CID 114080437

IUPACN-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C(C)c1nccnc1C
InChIInChI=1S/C13H22N4/c1-10-13(16-7-6-15-10)11(2)17-8-4-5-12(17)9-14-3/h6-7,11-12,14H,4-5,8-9H2,1-3H3
InChIKeyQCWIIHFFHCLOJJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine

N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 114080437) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID114080437
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C(C)c1nccnc1C
InChIInChI=1S/C13H22N4/c1-10-13(16-7-6-15-10)11(2)17-8-4-5-12(17)9-14-3/h6-7,11-12,14H,4-5,8-9H2,1-3H3
InChIKeyQCWIIHFFHCLOJJ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine (CID 114080437) is N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine is CNCC1CCCN1C(C)c1nccnc1C.
What is the InChIKey of N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is QCWIIHFFHCLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-13(16-7-6-15-10)11(2)17-8-4-5-12(17)9-14-3/h6-7,11-12,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 114080437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).