(1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

C18H19N — CID 122197510

IUPAC(1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESC[C@@H]1[C@H]2c3ccccc3C[C@@H](c3ccccc32)N1C
InChIInChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18+/m1/s1
InChIKeyGSOKUGXLPOWMGZ-UUWFMWQGSA-N
MW249.36 g/mol
LogP3.75
Rot. Bonds

About (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

(1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (PubChem CID 122197510) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name(1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
PubChem CID122197510
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESC[C@@H]1[C@H]2c3ccccc3C[C@@H](c3ccccc32)N1C
InChIInChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18+/m1/s1
InChIKeyGSOKUGXLPOWMGZ-UUWFMWQGSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene with MolForge

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Related Compounds

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Mcn 4612
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4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine
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CID 436347
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1,16-Dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 12477260

Frequently Asked Questions

What is the IUPAC name of (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (CID 122197510) is (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is C[C@@H]1[C@H]2c3ccccc3C[C@@H](c3ccccc32)N1C.
What is the InChIKey of (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The InChIKey is GSOKUGXLPOWMGZ-UUWFMWQGSA-N. The full InChI is InChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18+/m1/s1.
What are the key properties of (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
(1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene has a molecular weight of 249.36 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,16R)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 122197510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).