18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene

C18H15N — CID 145265092

IUPAC18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
SMILESCn1c2c(c3ccccc31)C=CCc1ccccc1-2
InChIInChI=1S/C18H15N/c1-19-17-12-5-4-10-15(17)16-11-6-8-13-7-2-3-9-14(13)18(16)19/h2-7,9-12H,8H2,1H3
InChIKeyKYOMTBOZDQMEKB-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.41
Rot. Bonds

About 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene

18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene (PubChem CID 145265092) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene.

Molecular Properties

Compound Name18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
PubChem CID145265092
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
SMILESCn1c2c(c3ccccc31)C=CCc1ccccc1-2
InChIInChI=1S/C18H15N/c1-19-17-12-5-4-10-15(17)16-11-6-8-13-7-2-3-9-14(13)18(16)19/h2-7,9-12H,8H2,1H3
InChIKeyKYOMTBOZDQMEKB-UHFFFAOYSA-N
XLogP4.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene?
The IUPAC name of 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene (CID 145265092) is 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene.
What is the SMILES notation for 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene?
The canonical SMILES for 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene is Cn1c2c(c3ccccc31)C=CCc1ccccc1-2.
What is the InChIKey of 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene?
The InChIKey is KYOMTBOZDQMEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-19-17-12-5-4-10-15(17)16-11-6-8-13-7-2-3-9-14(13)18(16)19/h2-7,9-12H,8H2,1H3.
What are the key properties of 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene?
18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene has a molecular weight of 245.33 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene is sourced from PubChem (CID 145265092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).