2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine

C12H21N3O — CID 66451958

IUPAC2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cncc(OC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)5-13-6-11-7-14-8-12(15-11)16-10(3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyXRDPWLLQCPJGQV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds6

About 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine

2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 66451958) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID66451958
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cncc(OC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)5-13-6-11-7-14-8-12(15-11)16-10(3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyXRDPWLLQCPJGQV-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine (CID 66451958) is 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine is CC(C)CNCc1cncc(OC(C)C)n1.
What is the InChIKey of 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is XRDPWLLQCPJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)5-13-6-11-7-14-8-12(15-11)16-10(3)4/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine?
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 66451958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).