(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

C15H20N2 — CID 23652290

IUPAC(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
SMILESC[C@@H]1C[C@@H]2c3cccc4c3N(CCNC4)[C@@H]2C1
InChIInChI=1S/C15H20N2/c1-10-7-13-12-4-2-3-11-9-16-5-6-17(15(11)12)14(13)8-10/h2-4,10,13-14,16H,5-9H2,1H3/t10-,13-,14-/m1/s1
InChIKeyMOPJJYIOUSEIJH-LERXQTSPSA-N
MW228.34 g/mol
LogP2.49
Rot. Bonds

About (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene (PubChem CID 23652290) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene.

Molecular Properties

Compound Name(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
PubChem CID23652290
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
SMILESC[C@@H]1C[C@@H]2c3cccc4c3N(CCNC4)[C@@H]2C1
InChIInChI=1S/C15H20N2/c1-10-7-13-12-4-2-3-11-9-16-5-6-17(15(11)12)14(13)8-10/h2-4,10,13-14,16H,5-9H2,1H3/t10-,13-,14-/m1/s1
InChIKeyMOPJJYIOUSEIJH-LERXQTSPSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The IUPAC name of (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene (CID 23652290) is (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene.
What is the SMILES notation for (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The canonical SMILES for (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene is C[C@@H]1C[C@@H]2c3cccc4c3N(CCNC4)[C@@H]2C1.
What is the InChIKey of (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The InChIKey is MOPJJYIOUSEIJH-LERXQTSPSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-7-13-12-4-2-3-11-9-16-5-6-17(15(11)12)14(13)8-10/h2-4,10,13-14,16H,5-9H2,1H3/t10-,13-,14-/m1/s1.
What are the key properties of (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene has a molecular weight of 228.34 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene is sourced from PubChem (CID 23652290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).