16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

C16H15N — CID 3039379

IUPAC16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
SMILESCN1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C16H15N/c1-17-15-10-11-6-2-3-7-12(11)16(17)14-9-5-4-8-13(14)15/h2-9,15-16H,10H2,1H3
InChIKeyPFFGUTFSPWUIOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.32
Rot. Bonds

About 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene

16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (PubChem CID 3039379) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
PubChem CID3039379
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
SMILESCN1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C16H15N/c1-17-15-10-11-6-2-3-7-12(11)16(17)14-9-5-4-8-13(14)15/h2-9,15-16H,10H2,1H3
InChIKeyPFFGUTFSPWUIOT-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (CID 3039379) is 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene is CN1C2Cc3ccccc3C1c1ccccc12.
What is the InChIKey of 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
The InChIKey is PFFGUTFSPWUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-17-15-10-11-6-2-3-7-12(11)16(17)14-9-5-4-8-13(14)15/h2-9,15-16H,10H2,1H3.
What are the key properties of 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene?
16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene has a molecular weight of 221.30 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 3039379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).