(4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene

C17H26N2 — CID 121292951

IUPAC(4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene
SMILESCC1CC(C)(C)C2CC[C@@H](C)C2C2=C3CC(=NC21)N3
InChIInChI=1S/C17H26N2/c1-9-5-6-11-14(9)15-12-7-13(18-12)19-16(15)10(2)8-17(11,3)4/h9-11,14,16H,5-8H2,1-4H3,(H,18,19)/t9-,10?,11?,14?,16?/m1/s1
InChIKeyDLHUQDLYQNPHSG-GIBMINKNSA-N
MW258.41 g/mol
LogP3.74
Rot. Bonds

About (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene

(4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene (PubChem CID 121292951) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene.

Molecular Properties

Compound Name(4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene
PubChem CID121292951
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene
SMILESCC1CC(C)(C)C2CC[C@@H](C)C2C2=C3CC(=NC21)N3
InChIInChI=1S/C17H26N2/c1-9-5-6-11-14(9)15-12-7-13(18-12)19-16(15)10(2)8-17(11,3)4/h9-11,14,16H,5-8H2,1-4H3,(H,18,19)/t9-,10?,11?,14?,16?/m1/s1
InChIKeyDLHUQDLYQNPHSG-GIBMINKNSA-N
XLogP3.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene?
The IUPAC name of (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene (CID 121292951) is (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene.
What is the SMILES notation for (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene?
The canonical SMILES for (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene is CC1CC(C)(C)C2CC[C@@H](C)C2C2=C3CC(=NC21)N3.
What is the InChIKey of (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene?
The InChIKey is DLHUQDLYQNPHSG-GIBMINKNSA-N. The full InChI is InChI=1S/C17H26N2/c1-9-5-6-11-14(9)15-12-7-13(18-12)19-16(15)10(2)8-17(11,3)4/h9-11,14,16H,5-8H2,1-4H3,(H,18,19)/t9-,10?,11?,14?,16?/m1/s1.
What are the key properties of (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene?
(4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene has a molecular weight of 258.41 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8,8,10-tetramethyl-12,14-diazatetracyclo[11.1.1.02,11.03,7]pentadeca-1,12-diene is sourced from PubChem (CID 121292951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).