1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

C12H20N4 — CID 81466069

IUPAC1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CNC2CC(C)N(C)C2)cn1
InChIInChI=1S/C12H20N4/c1-9-5-14-12(6-13-9)7-15-11-4-10(2)16(3)8-11/h5-6,10-11,15H,4,7-8H2,1-3H3
InChIKeyXHTISQKWKCJSSU-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.97
Rot. Bonds3

About 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 81466069) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID81466069
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CNC2CC(C)N(C)C2)cn1
InChIInChI=1S/C12H20N4/c1-9-5-14-12(6-13-9)7-15-11-4-10(2)16(3)8-11/h5-6,10-11,15H,4,7-8H2,1-3H3
InChIKeyXHTISQKWKCJSSU-UHFFFAOYSA-N
XLogP0.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (CID 81466069) is 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is Cc1cnc(CNC2CC(C)N(C)C2)cn1.
What is the InChIKey of 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XHTISQKWKCJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-5-14-12(6-13-9)7-15-11-4-10(2)16(3)8-11/h5-6,10-11,15H,4,7-8H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81466069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).