1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione

C16H28N2O2 — CID 104747332

IUPAC1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
SMILESCCCNC(CN1C(=O)CCCCC1=O)C1CCCC1
InChIInChI=1S/C16H28N2O2/c1-2-11-17-14(13-7-3-4-8-13)12-18-15(19)9-5-6-10-16(18)20/h13-14,17H,2-12H2,1H3
InChIKeyRFBCNPAJZNCDCO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione

1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione (PubChem CID 104747332) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione.

Molecular Properties

Compound Name1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
PubChem CID104747332
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
SMILESCCCNC(CN1C(=O)CCCCC1=O)C1CCCC1
InChIInChI=1S/C16H28N2O2/c1-2-11-17-14(13-7-3-4-8-13)12-18-15(19)9-5-6-10-16(18)20/h13-14,17H,2-12H2,1H3
InChIKeyRFBCNPAJZNCDCO-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
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

1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-[2-cyclohexyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 113448405
1-[2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 63914391
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
CID 104748080
1-[2-cyclohexyl-2-(ethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
CID 104747634
1-[3-methoxy-2-(propylamino)propyl]azepane-2,7-dione
CID 107506115
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747038
N-[1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745688
4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
CID 104747633
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione?
The IUPAC name of 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione (CID 104747332) is 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione.
What is the SMILES notation for 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione?
The canonical SMILES for 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione is CCCNC(CN1C(=O)CCCCC1=O)C1CCCC1.
What is the InChIKey of 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione?
The InChIKey is RFBCNPAJZNCDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-11-17-14(13-7-3-4-8-13)12-18-15(19)9-5-6-10-16(18)20/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione?
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione is sourced from PubChem (CID 104747332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).