(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

C17H20N2 — CID 102243655

IUPAC(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCc1cc2nc3c(nc2cc1C)[C@@H]1C[C@H](C3)C1(C)C
InChIInChI=1S/C17H20N2/c1-9-5-13-14(6-10(9)2)19-16-12-7-11(17(12,3)4)8-15(16)18-13/h5-6,11-12H,7-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyMVTJMFWYQZRQOL-NEPJUHHUSA-N
MW252.36 g/mol
LogP3.93
Rot. Bonds

About (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (PubChem CID 102243655) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.

Molecular Properties

Compound Name(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
PubChem CID102243655
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCc1cc2nc3c(nc2cc1C)[C@@H]1C[C@H](C3)C1(C)C
InChIInChI=1S/C17H20N2/c1-9-5-13-14(6-10(9)2)19-16-12-7-11(17(12,3)4)8-15(16)18-13/h5-6,11-12H,7-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyMVTJMFWYQZRQOL-NEPJUHHUSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The IUPAC name of (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (CID 102243655) is (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.
What is the SMILES notation for (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The canonical SMILES for (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is Cc1cc2nc3c(nc2cc1C)[C@@H]1C[C@H](C3)C1(C)C.
What is the InChIKey of (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The InChIKey is MVTJMFWYQZRQOL-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H20N2/c1-9-5-13-14(6-10(9)2)19-16-12-7-11(17(12,3)4)8-15(16)18-13/h5-6,11-12H,7-8H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene has a molecular weight of 252.36 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is sourced from PubChem (CID 102243655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).