6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene

C17H24N+ — CID 122605928

IUPAC6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene
SMILESCCc1c2c3c(cc1=C(C)C)CCC[N+]=3CCC2
InChIInChI=1S/C17H24N/c1-4-14-15-8-6-10-18-9-5-7-13(17(15)18)11-16(14)12(2)3/h11H,4-10H2,1-3H3/q+1
InChIKeyQLKXAQVLPAGPQS-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.82
Rot. Bonds1

About 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene

6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene (PubChem CID 122605928) has the molecular formula C17H24N+ and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene.

Molecular Properties

Compound Name6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene
PubChem CID122605928
Molecular FormulaC17H24N+
Molecular Weight242.39 g/mol
Exact Mass242.19
IUPAC Name6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene
SMILESCCc1c2c3c(cc1=C(C)C)CCC[N+]=3CCC2
InChIInChI=1S/C17H24N/c1-4-14-15-8-6-10-18-9-5-7-13(17(15)18)11-16(14)12(2)3/h11H,4-10H2,1-3H3/q+1
InChIKeyQLKXAQVLPAGPQS-UHFFFAOYSA-N
XLogP1.82
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene?
The IUPAC name of 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene (CID 122605928) is 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene.
What is the SMILES notation for 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene?
The canonical SMILES for 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene is CCc1c2c3c(cc1=C(C)C)CCC[N+]=3CCC2.
What is the InChIKey of 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene?
The InChIKey is QLKXAQVLPAGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N/c1-4-14-15-8-6-10-18-9-5-7-13(17(15)18)11-16(14)12(2)3/h11H,4-10H2,1-3H3/q+1.
What are the key properties of 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene?
6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene has a molecular weight of 242.39 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-propan-2-ylidene-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene is sourced from PubChem (CID 122605928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).