1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C12H19N3 — CID 62846796

IUPAC1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)C2(C)CC2)cn1
InChIInChI=1S/C12H19N3/c1-9-6-15-11(7-13-9)8-14-10(2)12(3)4-5-12/h6-7,10,14H,4-5,8H2,1-3H3
InChIKeyPHTGAGJWLXRPDC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds4

About 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 62846796) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID62846796
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)C2(C)CC2)cn1
InChIInChI=1S/C12H19N3/c1-9-6-15-11(7-13-9)8-14-10(2)12(3)4-5-12/h6-7,10,14H,4-5,8H2,1-3H3
InChIKeyPHTGAGJWLXRPDC-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 62846796) is 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)C2(C)CC2)cn1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is PHTGAGJWLXRPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-6-15-11(7-13-9)8-14-10(2)12(3)4-5-12/h6-7,10,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62846796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).