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

C18H29N — CID 70507087

IUPAC(11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene
SMILESCC1(C)/C=N/C2(C/C=C/CC/C=C/C1)CCCCC2
InChIInChI=1S/C18H29N/c1-17(2)12-8-5-3-4-6-9-13-18(19-16-17)14-10-7-11-15-18/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3/b8-5+,9-6+,19-16+
InChIKeyBGRQKVHFDXWRQH-ISZURTPPSA-N
MW259.44 g/mol
LogP5.47
Rot. Bonds

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

(11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene (PubChem CID 70507087) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene.

Molecular Properties

Compound Name(11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene
PubChem CID70507087
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene
SMILESCC1(C)/C=N/C2(C/C=C/CC/C=C/C1)CCCCC2
InChIInChI=1S/C18H29N/c1-17(2)12-8-5-3-4-6-9-13-18(19-16-17)14-10-7-11-15-18/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3/b8-5+,9-6+,19-16+
InChIKeyBGRQKVHFDXWRQH-ISZURTPPSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.47
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 (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene?
The IUPAC name of (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene (CID 70507087) is (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene.
What is the SMILES notation for (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene?
The canonical SMILES for (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene is CC1(C)/C=N/C2(C/C=C/CC/C=C/C1)CCCCC2.
What is the InChIKey of (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene?
The InChIKey is BGRQKVHFDXWRQH-ISZURTPPSA-N. The full InChI is InChI=1S/C18H29N/c1-17(2)12-8-5-3-4-6-9-13-18(19-16-17)14-10-7-11-15-18/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3/b8-5+,9-6+,19-16+.
What are the key properties of (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene?
(11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene has a molecular weight of 259.44 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,15E)-9,9-dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene is sourced from PubChem (CID 70507087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).