17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene

C17H23N — CID 617841

IUPAC17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
SMILESCN1CCC23CCCCC2C1Cc1ccccc13
InChIInChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeyIHBSVVZENGBQDY-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.37
Rot. Bonds

About 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene

17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene (PubChem CID 617841) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene.

Molecular Properties

Compound Name17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
PubChem CID617841
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
SMILESCN1CCC23CCCCC2C1Cc1ccccc13
InChIInChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeyIHBSVVZENGBQDY-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene?
The IUPAC name of 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene (CID 617841) is 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene.
What is the SMILES notation for 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene?
The canonical SMILES for 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene is CN1CCC23CCCCC2C1Cc1ccccc13.
What is the InChIKey of 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene?
The InChIKey is IHBSVVZENGBQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3.
What are the key properties of 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene?
17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene has a molecular weight of 241.38 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene is sourced from PubChem (CID 617841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).