(15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene

C22H35N — CID 173424185

IUPAC(15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene
SMILESC1=CCC(C2CCCCC2)/N=C/C2(C/C=C/CC1)CCCCC2
InChIInChI=1S/C22H35N/c1-2-4-10-16-22(17-11-6-12-18-22)19-23-21(15-9-3-1)20-13-7-5-8-14-20/h3-4,9-10,19-21H,1-2,5-8,11-18H2/b9-3?,10-4+,23-19+
InChIKeyACSPPLDUFWCSAK-DUAIBYMGSA-N
MW313.53 g/mol
LogP6.64
Rot. Bonds1

About (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene

(15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene (PubChem CID 173424185) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene.

Molecular Properties

Compound Name(15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene
PubChem CID173424185
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name(15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene
SMILESC1=CCC(C2CCCCC2)/N=C/C2(C/C=C/CC1)CCCCC2
InChIInChI=1S/C22H35N/c1-2-4-10-16-22(17-11-6-12-18-22)19-23-21(15-9-3-1)20-13-7-5-8-14-20/h3-4,9-10,19-21H,1-2,5-8,11-18H2/b9-3?,10-4+,23-19+
InChIKeyACSPPLDUFWCSAK-DUAIBYMGSA-N
XLogP6.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene?
The IUPAC name of (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene (CID 173424185) is (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene.
What is the SMILES notation for (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene?
The canonical SMILES for (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene is C1=CCC(C2CCCCC2)/N=C/C2(C/C=C/CC1)CCCCC2.
What is the InChIKey of (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene?
The InChIKey is ACSPPLDUFWCSAK-DUAIBYMGSA-N. The full InChI is InChI=1S/C22H35N/c1-2-4-10-16-22(17-11-6-12-18-22)19-23-21(15-9-3-1)20-13-7-5-8-14-20/h3-4,9-10,19-21H,1-2,5-8,11-18H2/b9-3?,10-4+,23-19+.
What are the key properties of (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene?
(15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene has a molecular weight of 313.53 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15E)-9-cyclohexyl-8-azaspiro[5.11]heptadeca-7,11,15-triene is sourced from PubChem (CID 173424185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).