8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

C14H21N3O2 — CID 79501268

IUPAC8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESNC1(C2=NC(=O)C3(CCCC3)C(=O)N2)CCCCC1
InChIInChI=1S/C14H21N3O2/c15-14(8-2-1-3-9-14)10-16-11(18)13(12(19)17-10)6-4-5-7-13/h1-9,15H2,(H,16,17,18,19)
InChIKeyVCUKQGVALRLOCH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.26
Rot. Bonds1

About 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 79501268) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID79501268
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESNC1(C2=NC(=O)C3(CCCC3)C(=O)N2)CCCCC1
InChIInChI=1S/C14H21N3O2/c15-14(8-2-1-3-9-14)10-16-11(18)13(12(19)17-10)6-4-5-7-13/h1-9,15H2,(H,16,17,18,19)
InChIKeyVCUKQGVALRLOCH-UHFFFAOYSA-N
XLogP1.26
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (CID 79501268) is 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is NC1(C2=NC(=O)C3(CCCC3)C(=O)N2)CCCCC1.
What is the InChIKey of 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is VCUKQGVALRLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(8-2-1-3-9-14)10-16-11(18)13(12(19)17-10)6-4-5-7-13/h1-9,15H2,(H,16,17,18,19).
What are the key properties of 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 263.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminocyclohexyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 79501268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).