5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C16H28N2O2 — CID 106800621

IUPAC5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CCCC(CC)NC)C(=O)C2C1
InChIInChI=1S/C16H28N2O2/c1-4-11-9-13-14(10-11)16(20)18(15(13)19)8-6-7-12(5-2)17-3/h11-14,17H,4-10H2,1-3H3
InChIKeyXFPXJKYWNUYQQZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.19
Rot. Bonds7

About 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 106800621) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID106800621
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CCCC(CC)NC)C(=O)C2C1
InChIInChI=1S/C16H28N2O2/c1-4-11-9-13-14(10-11)16(20)18(15(13)19)8-6-7-12(5-2)17-3/h11-14,17H,4-10H2,1-3H3
InChIKeyXFPXJKYWNUYQQZ-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506472
5-ethyl-2-pent-4-ynyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513768
5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
CID 114512330
4-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114512643
5-ethyl-2-[2-(ethylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513427
3-[2-(methylamino)pentyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836040
5-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513092
5-ethyl-2-(4-hydroxy-2-methylbutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513192
ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine
CID 143305969
3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one
CID 106800266
5-ethyl-2-[2-(ethylamino)-3-methylbutyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513447
methyl 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetate
CID 114512851

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 106800621) is 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CCCC(CC)NC)C(=O)C2C1.
What is the InChIKey of 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is XFPXJKYWNUYQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-11-9-13-14(10-11)16(20)18(15(13)19)8-6-7-12(5-2)17-3/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 280.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 106800621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).