11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene

C22H20N2 — CID 118933075

IUPAC11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene
SMILESCc1ccc2c3c1c1ccccc1c1ncc(n13)C1CCCCC21
InChIInChI=1S/C22H20N2/c1-13-10-11-17-14-6-2-3-7-15(14)19-12-23-22-18-9-5-4-8-16(18)20(13)21(17)24(19)22/h4-5,8-12,14-15H,2-3,6-7H2,1H3
InChIKeyDAZLLAHMJKGJFB-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.70
Rot. Bonds

About 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene

11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene (PubChem CID 118933075) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene.

Molecular Properties

Compound Name11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene
PubChem CID118933075
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene
SMILESCc1ccc2c3c1c1ccccc1c1ncc(n13)C1CCCCC21
InChIInChI=1S/C22H20N2/c1-13-10-11-17-14-6-2-3-7-15(14)19-12-23-22-18-9-5-4-8-16(18)20(13)21(17)24(19)22/h4-5,8-12,14-15H,2-3,6-7H2,1H3
InChIKeyDAZLLAHMJKGJFB-UHFFFAOYSA-N
XLogP5.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene?
The IUPAC name of 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene (CID 118933075) is 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene.
What is the SMILES notation for 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene?
The canonical SMILES for 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene is Cc1ccc2c3c1c1ccccc1c1ncc(n13)C1CCCCC21.
What is the InChIKey of 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene?
The InChIKey is DAZLLAHMJKGJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-13-10-11-17-14-6-2-3-7-15(14)19-12-23-22-18-9-5-4-8-16(18)20(13)21(17)24(19)22/h4-5,8-12,14-15H,2-3,6-7H2,1H3.
What are the key properties of 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene?
11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene has a molecular weight of 312.42 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-20,22-diazahexacyclo[10.9.2.02,7.08,23.013,18.019,22]tricosa-1(21),8(23),9,11,13,15,17,19-octaene is sourced from PubChem (CID 118933075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).