3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile

C11H19N3 — CID 115561380

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)CN1CC2CCCC2C1
InChIInChI=1S/C11H19N3/c1-13-11(5-12)8-14-6-9-3-2-4-10(9)7-14/h9-11,13H,2-4,6-8H2,1H3
InChIKeyRZOIQXLQOZKZNM-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.83
Rot. Bonds3

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile (PubChem CID 115561380) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile
PubChem CID115561380
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)CN1CC2CCCC2C1
InChIInChI=1S/C11H19N3/c1-13-11(5-12)8-14-6-9-3-2-4-10(9)7-14/h9-11,13H,2-4,6-8H2,1H3
InChIKeyRZOIQXLQOZKZNM-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylpropanenitrile
CID 115559882
3-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methylpropanenitrile
CID 130778622
3-(4-tert-butylpiperidin-1-yl)-2-(methylamino)propanenitrile
CID 62090564
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
CID 113336073
2-(methylamino)-3-(1,4-oxazepan-4-yl)propanenitrile
CID 62974947
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methylamino)butanenitrile
CID 82750370
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylmethanamine
CID 176871843
2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile
CID 81198797
4-(dicyclohexylamino)-2-(methylamino)butanenitrile
CID 63027303
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(methylamino)propanenitrile
CID 79943619
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
CID 63029852
4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63029104

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile (CID 115561380) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile is CNC(C#N)CN1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile?
The InChIKey is RZOIQXLQOZKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-11(5-12)8-14-6-9-3-2-4-10(9)7-14/h9-11,13H,2-4,6-8H2,1H3.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile has a molecular weight of 193.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)propanenitrile is sourced from PubChem (CID 115561380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).