1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene

C21H23N — CID 145418158

IUPAC1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
SMILESCC12CC3CC3(C)c3ccccc3C(C)(N1)c1ccccc12
InChIInChI=1S/C21H23N/c1-19-12-14(19)13-20(2)16-9-5-7-11-18(16)21(3,22-20)17-10-6-4-8-15(17)19/h4-11,14,22H,12-13H2,1-3H3
InChIKeyFRFZTHDQGQMPOR-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.45
Rot. Bonds

About 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene

1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene (PubChem CID 145418158) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene.

Molecular Properties

Compound Name1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
PubChem CID145418158
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
SMILESCC12CC3CC3(C)c3ccccc3C(C)(N1)c1ccccc12
InChIInChI=1S/C21H23N/c1-19-12-14(19)13-20(2)16-9-5-7-11-18(16)21(3,22-20)17-10-6-4-8-15(17)19/h4-11,14,22H,12-13H2,1-3H3
InChIKeyFRFZTHDQGQMPOR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(4-chlorophenyl)methyl]-1,12-dimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
CID 163563707
1,8-dimethyl-19-azoniapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
CID 163477512
2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
CID 12525360
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 167309537
2-(1,11-dimethyl-18-azapentacyclo[9.6.1.02,4.05,10.012,17]octadeca-5,7,9,12,14,16-hexaen-4-yl)acetonitrile
CID 163522656
1,1,3,3-tetramethyl-2H-isoindole
CID 641027
2,2,6,6-tetramethyl-4-(2-phenylphenyl)piperidine
CID 150838395
1,3,3,5-tetramethyl-1,2,4,5-tetrahydro-2-benzazepine chloride
CID 53313999
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol
CID 146840967
N-(2,3-dihydro-1H-inden-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43512924
2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole
CID 91361054

Frequently Asked Questions

What is the IUPAC name of 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene?
The IUPAC name of 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene (CID 145418158) is 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene.
What is the SMILES notation for 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene?
The canonical SMILES for 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene is CC12CC3CC3(C)c3ccccc3C(C)(N1)c1ccccc12.
What is the InChIKey of 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene?
The InChIKey is FRFZTHDQGQMPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-19-12-14(19)13-20(2)16-9-5-7-11-18(16)21(3,22-20)17-10-6-4-8-15(17)19/h4-11,14,22H,12-13H2,1-3H3.
What are the key properties of 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene?
1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene has a molecular weight of 289.42 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,12-trimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene is sourced from PubChem (CID 145418158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).