11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene

C18H25N — CID 70637124

IUPAC11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
SMILESC=CC(C)(C)N1CCC2CC(Cc3ccccc32)C1
InChIInChI=1S/C18H25N/c1-4-18(2,3)19-10-9-16-12-14(13-19)11-15-7-5-6-8-17(15)16/h4-8,14,16H,1,9-13H2,2-3H3
InChIKeyWDDAPUWIKWENGK-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.00
Rot. Bonds2

About 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene

11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene (PubChem CID 70637124) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
PubChem CID70637124
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
SMILESC=CC(C)(C)N1CCC2CC(Cc3ccccc32)C1
InChIInChI=1S/C18H25N/c1-4-18(2,3)19-10-9-16-12-14(13-19)11-15-7-5-6-8-17(15)16/h4-8,14,16H,1,9-13H2,2-3H3
InChIKeyWDDAPUWIKWENGK-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.00
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 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
The IUPAC name of 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene (CID 70637124) is 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene is C=CC(C)(C)N1CCC2CC(Cc3ccccc32)C1.
What is the InChIKey of 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
The InChIKey is WDDAPUWIKWENGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-18(2,3)19-10-9-16-12-14(13-19)11-15-7-5-6-8-17(15)16/h4-8,14,16H,1,9-13H2,2-3H3.
What are the key properties of 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene?
11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene has a molecular weight of 255.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 70637124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).