2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine

C10H19N3 — CID 130820651

IUPAC2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESC=C1CN2CCCC2CN1CCN
InChIInChI=1S/C10H19N3/c1-9-7-13-5-2-3-10(13)8-12(9)6-4-11/h10H,1-8,11H2
InChIKeyNOYMJTNBZHHPHR-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.24
Rot. Bonds2

About 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine

2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine (PubChem CID 130820651) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine
PubChem CID130820651
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESC=C1CN2CCCC2CN1CCN
InChIInChI=1S/C10H19N3/c1-9-7-13-5-2-3-10(13)8-12(9)6-4-11/h10H,1-8,11H2
InChIKeyNOYMJTNBZHHPHR-UHFFFAOYSA-N
XLogP0.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The IUPAC name of 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine (CID 130820651) is 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine is C=C1CN2CCCC2CN1CCN.
What is the InChIKey of 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The InChIKey is NOYMJTNBZHHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9-7-13-5-2-3-10(13)8-12(9)6-4-11/h10H,1-8,11H2.
What are the key properties of 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)ethanamine is sourced from PubChem (CID 130820651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).