(11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene

C17H28N2O2 — CID 167266912

IUPAC(11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene
SMILESCCC1(CC)C2=NC(CO2)C(C)CCC(C)[C@H]2COC1=N2
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2)15-18-13(9-20-15)11(3)7-8-12(4)14-10-21-16(17)19-14/h11-14H,5-10H2,1-4H3/t11?,12?,13-,14?/m1/s1
InChIKeyGZDHJRHBIKJVFX-WCFLAILDSA-N
MW292.42 g/mol
LogP3.45
Rot. Bonds2

About (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene

(11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene (PubChem CID 167266912) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene.

Molecular Properties

Compound Name(11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene
PubChem CID167266912
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene
SMILESCCC1(CC)C2=NC(CO2)C(C)CCC(C)[C@H]2COC1=N2
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2)15-18-13(9-20-15)11(3)7-8-12(4)14-10-21-16(17)19-14/h11-14H,5-10H2,1-4H3/t11?,12?,13-,14?/m1/s1
InChIKeyGZDHJRHBIKJVFX-WCFLAILDSA-N
XLogP3.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene?
The IUPAC name of (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene (CID 167266912) is (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene.
What is the SMILES notation for (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene?
The canonical SMILES for (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene is CCC1(CC)C2=NC(CO2)C(C)CCC(C)[C@H]2COC1=N2.
What is the InChIKey of (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene?
The InChIKey is GZDHJRHBIKJVFX-WCFLAILDSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-17(6-2)15-18-13(9-20-15)11(3)7-8-12(4)14-10-21-16(17)19-14/h11-14H,5-10H2,1-4H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene?
(11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene has a molecular weight of 292.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-2,2-diethyl-7,10-dimethyl-4,13-dioxa-14,15-diazatricyclo[9.2.1.13,6]pentadeca-1(14),3(15)-diene is sourced from PubChem (CID 167266912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).