(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene

C17H17N — CID 144534632

IUPAC(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
SMILESCN1c2ccccc2C2CC[C@H]2c2ccccc21
InChIInChI=1S/C17H17N/c1-18-16-8-4-2-6-14(16)12-10-11-13(12)15-7-3-5-9-17(15)18/h2-9,12-13H,10-11H2,1H3/t12-,13?/m1/s1
InChIKeyMBAHASTYSSWTCS-PZORYLMUSA-N
MW235.33 g/mol
LogP4.43
Rot. Bonds

About (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene

(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene (PubChem CID 144534632) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene.

Molecular Properties

Compound Name(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
PubChem CID144534632
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
SMILESCN1c2ccccc2C2CC[C@H]2c2ccccc21
InChIInChI=1S/C17H17N/c1-18-16-8-4-2-6-14(16)12-10-11-13(12)15-7-3-5-9-17(15)18/h2-9,12-13H,10-11H2,1H3/t12-,13?/m1/s1
InChIKeyMBAHASTYSSWTCS-PZORYLMUSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene?
The IUPAC name of (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene (CID 144534632) is (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene.
What is the SMILES notation for (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene?
The canonical SMILES for (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene is CN1c2ccccc2C2CC[C@H]2c2ccccc21.
What is the InChIKey of (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene?
The InChIKey is MBAHASTYSSWTCS-PZORYLMUSA-N. The full InChI is InChI=1S/C17H17N/c1-18-16-8-4-2-6-14(16)12-10-11-13(12)15-7-3-5-9-17(15)18/h2-9,12-13H,10-11H2,1H3/t12-,13?/m1/s1.
What are the key properties of (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene?
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene has a molecular weight of 235.33 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene is sourced from PubChem (CID 144534632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).