2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine

C9H15N3 — CID 84764960

IUPAC2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
SMILESCc1[nH]c2c(c1CCN)CNC2
InChIInChI=1S/C9H15N3/c1-6-7(2-3-10)8-4-11-5-9(8)12-6/h11-12H,2-5,10H2,1H3
InChIKeyYNPYBMJAODVXRC-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.43
Rot. Bonds2

About 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine

2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine (PubChem CID 84764960) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
PubChem CID84764960
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
SMILESCc1[nH]c2c(c1CCN)CNC2
InChIInChI=1S/C9H15N3/c1-6-7(2-3-10)8-4-11-5-9(8)12-6/h11-12H,2-5,10H2,1H3
InChIKeyYNPYBMJAODVXRC-UHFFFAOYSA-N
XLogP0.43
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine (CID 84764960) is 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine is Cc1[nH]c2c(c1CCN)CNC2.
What is the InChIKey of 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
The InChIKey is YNPYBMJAODVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-7(2-3-10)8-4-11-5-9(8)12-6/h11-12H,2-5,10H2,1H3.
What are the key properties of 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine is sourced from PubChem (CID 84764960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).