2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene

C24H36N2 — CID 177435311

IUPAC2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
SMILESCc1c(C)c2c3ccccc3c1N(C)CCCCCCCCCCN2C
InChIInChI=1S/C24H36N2/c1-19-20(2)24-22-16-12-11-15-21(22)23(19)25(3)17-13-9-7-5-6-8-10-14-18-26(24)4/h11-12,15-16H,5-10,13-14,17-18H2,1-4H3
InChIKeyLMLLJBZWXWNCIY-UHFFFAOYSA-N
MW352.57 g/mol
LogP6.46
Rot. Bonds

About 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene

2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene (PubChem CID 177435311) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene.

Molecular Properties

Compound Name2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
PubChem CID177435311
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
SMILESCc1c(C)c2c3ccccc3c1N(C)CCCCCCCCCCN2C
InChIInChI=1S/C24H36N2/c1-19-20(2)24-22-16-12-11-15-21(22)23(19)25(3)17-13-9-7-5-6-8-10-14-18-26(24)4/h11-12,15-16H,5-10,13-14,17-18H2,1-4H3
InChIKeyLMLLJBZWXWNCIY-UHFFFAOYSA-N
XLogP6.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1,3-oxazinan-2-one;toluene
CID 161105180
1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965043
10-ethyl-1-methyl-3,4-dihydro-2H-benzo[g]quinoline
CID 166491582
1,4-diphenylbenzene;1-methylpiperidine
CID 175507613
1-(2,3-dimethyldibenzothiophen-4-yl)piperidine
CID 12861826
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
2,3-dimethyl-1-piperidin-1-ylsulfonylindole
CID 90164871
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 598481

Frequently Asked Questions

What is the IUPAC name of 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene?
The IUPAC name of 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene (CID 177435311) is 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene.
What is the SMILES notation for 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene?
The canonical SMILES for 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene is Cc1c(C)c2c3ccccc3c1N(C)CCCCCCCCCCN2C.
What is the InChIKey of 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene?
The InChIKey is LMLLJBZWXWNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-19-20(2)24-22-16-12-11-15-21(22)23(19)25(3)17-13-9-7-5-6-8-10-14-18-26(24)4/h11-12,15-16H,5-10,13-14,17-18H2,1-4H3.
What are the key properties of 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene?
2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene has a molecular weight of 352.57 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene is sourced from PubChem (CID 177435311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).