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

C13H25N3O — CID 115561578

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(CN1CC2CCCC2C1)C(N)=O
InChIInChI=1S/C13H25N3O/c1-3-15-13(2,12(14)17)9-16-7-10-5-4-6-11(10)8-16/h10-11,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyVQHSQLFLFKQLNC-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.57
Rot. Bonds5

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

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 115561578) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
PubChem CID115561578
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(CN1CC2CCCC2C1)C(N)=O
InChIInChI=1S/C13H25N3O/c1-3-15-13(2,12(14)17)9-16-7-10-5-4-6-11(10)8-16/h10-11,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyVQHSQLFLFKQLNC-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanoate
CID 115561599
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 113336080
2-(ethylamino)-2-methyl-3-(4-propylpiperidin-1-yl)propanamide
CID 62204355
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
CID 115561579
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanenitrile
CID 115561379
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539368
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 63151089
3-cyclopentylsulfanyl-2-(ethylamino)-2-methylpropanamide
CID 63115926
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 79935074
methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66371565
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide (CID 115561578) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(CN1CC2CCCC2C1)C(N)=O.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is VQHSQLFLFKQLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15-13(2,12(14)17)9-16-7-10-5-4-6-11(10)8-16/h10-11,15H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 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-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 115561578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).