3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

C15H23N3O2 — CID 79500793

IUPAC3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESNC1(C2=NC(=O)C3(CCCCC3)C(=O)N2)CCCCC1
InChIInChI=1S/C15H23N3O2/c16-15(9-5-2-6-10-15)11-17-12(19)14(13(20)18-11)7-3-1-4-8-14/h1-10,16H2,(H,17,18,19,20)
InChIKeyQFBDIIBRTNRUFW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds1

About 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (PubChem CID 79500793) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
PubChem CID79500793
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESNC1(C2=NC(=O)C3(CCCCC3)C(=O)N2)CCCCC1
InChIInChI=1S/C15H23N3O2/c16-15(9-5-2-6-10-15)11-17-12(19)14(13(20)18-11)7-3-1-4-8-14/h1-10,16H2,(H,17,18,19,20)
InChIKeyQFBDIIBRTNRUFW-UHFFFAOYSA-N
XLogP1.65
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclohexyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998511
2-(1-aminocyclohexyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998555
3-(1-Aminocyclohexyl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
CID 79487297
3-Piperidin-2-yl-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
CID 79500740
3-(2-Aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
CID 79500780
2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
CID 79500965
2-(1-aminocyclohexyl)-1H-pyrimidine-4,6-dione
CID 79501218
8-(1-Aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
CID 79501268
3-(2-Aminoethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
CID 79501390
3-(3-Aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
CID 79501392
3-(1-Aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
CID 79501400
3-(1-Aminobutyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
CID 79501409

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The IUPAC name of 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (CID 79500793) is 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.
What is the SMILES notation for 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The canonical SMILES for 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is NC1(C2=NC(=O)C3(CCCCC3)C(=O)N2)CCCCC1.
What is the InChIKey of 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The InChIKey is QFBDIIBRTNRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(9-5-2-6-10-15)11-17-12(19)14(13(20)18-11)7-3-1-4-8-14/h1-10,16H2,(H,17,18,19,20).
What are the key properties of 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione has a molecular weight of 277.37 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is sourced from PubChem (CID 79500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).