11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene

C20H22N2 — CID 45379370

IUPAC11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
SMILESCN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
InChIKeyCYMMDQPIVHDAPZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.79
Rot. Bonds

About 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene

11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene (PubChem CID 45379370) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene.

Molecular Properties

Compound Name11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
PubChem CID45379370
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
SMILESCN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
InChIKeyCYMMDQPIVHDAPZ-UHFFFAOYSA-N
XLogP3.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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5,10-dihydroindeno[1,2-b]indole;ethane
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene?
The IUPAC name of 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene (CID 45379370) is 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene.
What is the SMILES notation for 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene?
The canonical SMILES for 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene is CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1.
What is the InChIKey of 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene?
The InChIKey is CYMMDQPIVHDAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3.
What are the key properties of 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene?
11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene has a molecular weight of 290.41 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene is sourced from PubChem (CID 45379370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).