2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene

C22H24N2 — CID 46894595

IUPAC2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
SMILESCC1(C)c2cc3c(cc2C=c2cc4c(cc21)=NCCC4)CCCN3
InChIInChI=1S/C22H24N2/c1-22(2)18-12-20-14(5-3-7-23-20)9-16(18)11-17-10-15-6-4-8-24-21(15)13-19(17)22/h9-13,23H,3-8H2,1-2H3
InChIKeyULMYNGDTOGSOFO-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.08
Rot. Bonds

About 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene

2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene (PubChem CID 46894595) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene.

Molecular Properties

Compound Name2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
PubChem CID46894595
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene
SMILESCC1(C)c2cc3c(cc2C=c2cc4c(cc21)=NCCC4)CCCN3
InChIInChI=1S/C22H24N2/c1-22(2)18-12-20-14(5-3-7-23-20)9-16(18)11-17-10-15-6-4-8-24-21(15)13-19(17)22/h9-13,23H,3-8H2,1-2H3
InChIKeyULMYNGDTOGSOFO-UHFFFAOYSA-N
XLogP3.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
The IUPAC name of 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene (CID 46894595) is 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene.
What is the SMILES notation for 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
The canonical SMILES for 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene is CC1(C)c2cc3c(cc2C=c2cc4c(cc21)=NCCC4)CCCN3.
What is the InChIKey of 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
The InChIKey is ULMYNGDTOGSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-22(2)18-12-20-14(5-3-7-23-20)9-16(18)11-17-10-15-6-4-8-24-21(15)13-19(17)22/h9-13,23H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene?
2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene has a molecular weight of 316.45 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaene is sourced from PubChem (CID 46894595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).