15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene

C16H21N — CID 67911075

IUPAC15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESCN1CC2=C3C=CCCC3C13CCCCC3=C2
InChIInChI=1S/C16H21N/c1-17-11-12-10-13-6-4-5-9-16(13,17)15-8-3-2-7-14(12)15/h2,7,10,15H,3-6,8-9,11H2,1H3
InChIKeyJFXBYJXOFNYMCI-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.45
Rot. Bonds

About 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene

15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene (PubChem CID 67911075) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene.

Molecular Properties

Compound Name15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene
PubChem CID67911075
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESCN1CC2=C3C=CCCC3C13CCCCC3=C2
InChIInChI=1S/C16H21N/c1-17-11-12-10-13-6-4-5-9-16(13,17)15-8-3-2-7-14(12)15/h2,7,10,15H,3-6,8-9,11H2,1H3
InChIKeyJFXBYJXOFNYMCI-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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15-Propyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
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Frequently Asked Questions

What is the IUPAC name of 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene?
The IUPAC name of 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene (CID 67911075) is 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene.
What is the SMILES notation for 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene?
The canonical SMILES for 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene is CN1CC2=C3C=CCCC3C13CCCCC3=C2.
What is the InChIKey of 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene?
The InChIKey is JFXBYJXOFNYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-17-11-12-10-13-6-4-5-9-16(13,17)15-8-3-2-7-14(12)15/h2,7,10,15H,3-6,8-9,11H2,1H3.
What are the key properties of 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene?
15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene has a molecular weight of 227.35 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene is sourced from PubChem (CID 67911075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).