14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene

C16H15N — CID 45097717

IUPAC14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene
SMILESCc1cc2c3c(c1)-c1ccccc1CN3CC2
InChIInChI=1S/C16H15N/c1-11-8-12-6-7-17-10-13-4-2-3-5-14(13)15(9-11)16(12)17/h2-5,8-9H,6-7,10H2,1H3
InChIKeyLKNHIJXLNWJIMO-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.54
Rot. Bonds

About 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene

14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene (PubChem CID 45097717) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene.

Molecular Properties

Compound Name14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene
PubChem CID45097717
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene
SMILESCc1cc2c3c(c1)-c1ccccc1CN3CC2
InChIInChI=1S/C16H15N/c1-11-8-12-6-7-17-10-13-4-2-3-5-14(13)15(9-11)16(12)17/h2-5,8-9H,6-7,10H2,1H3
InChIKeyLKNHIJXLNWJIMO-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene?
The IUPAC name of 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene (CID 45097717) is 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene.
What is the SMILES notation for 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene?
The canonical SMILES for 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene is Cc1cc2c3c(c1)-c1ccccc1CN3CC2.
What is the InChIKey of 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene?
The InChIKey is LKNHIJXLNWJIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-8-12-6-7-17-10-13-4-2-3-5-14(13)15(9-11)16(12)17/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene?
14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene has a molecular weight of 221.30 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaene is sourced from PubChem (CID 45097717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).