2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene

C22H26N2 — CID 46894466

IUPAC2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene
SMILESCC1(C)c2cc3c(cc2Cc2cc4c(cc21)NCCC4)CCCN3
InChIInChI=1S/C22H26N2/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/h9-10,12-13,23-24H,3-8,11H2,1-2H3
InChIKeyHKLGNDHXRQTJOL-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.63
Rot. Bonds

About 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene

2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene (PubChem CID 46894466) has the molecular formula C22H26N2 and a molecular weight of 318.46 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(12),4,10,15,21-hexaene.

Molecular Properties

Compound Name2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene
PubChem CID46894466
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene
SMILESCC1(C)c2cc3c(cc2Cc2cc4c(cc21)NCCC4)CCCN3
InChIInChI=1S/C22H26N2/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/h9-10,12-13,23-24H,3-8,11H2,1-2H3
InChIKeyHKLGNDHXRQTJOL-UHFFFAOYSA-N
XLogP4.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene with MolForge

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Related Compounds

ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
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
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397
3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 71757147
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835545
N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 113485635
1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine
CID 71228811
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481

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(12),4,10,15,21-hexaene?
The IUPAC name of 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene (CID 46894466) is 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene.
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(12),4,10,15,21-hexaene?
The canonical SMILES for 2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene is CC1(C)c2cc3c(cc2Cc2cc4c(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(12),4,10,15,21-hexaene?
The InChIKey is HKLGNDHXRQTJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/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/h9-10,12-13,23-24H,3-8,11H2,1-2H3.
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(12),4,10,15,21-hexaene?
2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene has a molecular weight of 318.46 g/mol, XLogP of 4.63, 0 rotatable bonds, 2 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(12),4,10,15,21-hexaene is sourced from PubChem (CID 46894466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).