11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene

C17H25N — CID 67873249

IUPAC11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene
SMILESCCCCCN1C=CC2=CCCC3CCC(=C23)C1
InChIInChI=1S/C17H25N/c1-2-3-4-11-18-12-10-15-7-5-6-14-8-9-16(13-18)17(14)15/h7,10,12,14H,2-6,8-9,11,13H2,1H3
InChIKeyNUMURNANTJQMGW-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.43
Rot. Bonds4

About 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene

11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene (PubChem CID 67873249) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene.

Molecular Properties

Compound Name11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene
PubChem CID67873249
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene
SMILESCCCCCN1C=CC2=CCCC3CCC(=C23)C1
InChIInChI=1S/C17H25N/c1-2-3-4-11-18-12-10-15-7-5-6-14-8-9-16(13-18)17(14)15/h7,10,12,14H,2-6,8-9,11,13H2,1H3
InChIKeyNUMURNANTJQMGW-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene?
The IUPAC name of 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene (CID 67873249) is 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene.
What is the SMILES notation for 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene?
The canonical SMILES for 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene is CCCCCN1C=CC2=CCCC3CCC(=C23)C1.
What is the InChIKey of 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene?
The InChIKey is NUMURNANTJQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-3-4-11-18-12-10-15-7-5-6-14-8-9-16(13-18)17(14)15/h7,10,12,14H,2-6,8-9,11,13H2,1H3.
What are the key properties of 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene?
11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene has a molecular weight of 243.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene is sourced from PubChem (CID 67873249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).