2-(3-methyl-4-propylpyrazin-1-yl)ethanamine

C10H19N3 — CID 57185637

IUPAC2-(3-methyl-4-propylpyrazin-1-yl)ethanamine
SMILESCCCN1C=CN(CCN)C=C1C
InChIInChI=1S/C10H19N3/c1-3-5-13-8-7-12(6-4-11)9-10(13)2/h7-9H,3-6,11H2,1-2H3
InChIKeyNWMHQJDAPMHZMJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.31
Rot. Bonds4

About 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine

2-(3-methyl-4-propylpyrazin-1-yl)ethanamine (PubChem CID 57185637) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-4-propylpyrazin-1-yl)ethanamine
PubChem CID57185637
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(3-methyl-4-propylpyrazin-1-yl)ethanamine
SMILESCCCN1C=CN(CCN)C=C1C
InChIInChI=1S/C10H19N3/c1-3-5-13-8-7-12(6-4-11)9-10(13)2/h7-9H,3-6,11H2,1-2H3
InChIKeyNWMHQJDAPMHZMJ-UHFFFAOYSA-N
XLogP1.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine?
The IUPAC name of 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine (CID 57185637) is 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine is CCCN1C=CN(CCN)C=C1C.
What is the InChIKey of 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine?
The InChIKey is NWMHQJDAPMHZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-13-8-7-12(6-4-11)9-10(13)2/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine?
2-(3-methyl-4-propylpyrazin-1-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propylpyrazin-1-yl)ethanamine is sourced from PubChem (CID 57185637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).