2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H26N2O2 — CID 114513383

IUPAC2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCCNC(C)CCCN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C15H26N2O2/c1-3-9-16-11(2)6-5-10-17-14(18)12-7-4-8-13(12)15(17)19/h11-13,16H,3-10H2,1-2H3
InChIKeyFCLSGJKFIBVGCR-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds7

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

2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513383) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513383
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCCNC(C)CCCN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C15H26N2O2/c1-3-9-16-11(2)6-5-10-17-14(18)12-7-4-8-13(12)15(17)19/h11-13,16H,3-10H2,1-2H3
InChIKeyFCLSGJKFIBVGCR-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
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

4-methyl-1-[4-(propylamino)pentyl]piperidine-2,6-dione
CID 79506055
2-[2-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513376
2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513774
2-[4-(propylamino)pentyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79926386
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 121221286
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione
CID 79937270
2-(4-chlorobutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512946
2-(5-chloropentyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512967
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-propylhexan-2-amine
CID 63151141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513383) is 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCCNC(C)CCCN1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is FCLSGJKFIBVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-9-16-11(2)6-5-10-17-14(18)12-7-4-8-13(12)15(17)19/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).