(3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane

C15H27NO2 — CID 11990925

IUPAC(3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1CO[C@H](C)CN1C2(C)C
InChIInChI=1S/C15H27NO2/c1-10-5-6-12-13(7-10)18-14-9-17-11(2)8-16(14)15(12,3)4/h10-14H,5-9H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
InChIKeySCTOJKSILQIPJZ-KSTCHIGDSA-N
MW253.39 g/mol
LogP2.65
Rot. Bonds

About (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane

(3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane (PubChem CID 11990925) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane.

Molecular Properties

Compound Name(3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
PubChem CID11990925
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1CO[C@H](C)CN1C2(C)C
InChIInChI=1S/C15H27NO2/c1-10-5-6-12-13(7-10)18-14-9-17-11(2)8-16(14)15(12,3)4/h10-14H,5-9H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
InChIKeySCTOJKSILQIPJZ-KSTCHIGDSA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The IUPAC name of (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane (CID 11990925) is (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane.
What is the SMILES notation for (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The canonical SMILES for (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1CO[C@H](C)CN1C2(C)C.
What is the InChIKey of (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The InChIKey is SCTOJKSILQIPJZ-KSTCHIGDSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10-5-6-12-13(7-10)18-14-9-17-11(2)8-16(14)15(12,3)4/h10-14H,5-9H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1.
What are the key properties of (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
(3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane has a molecular weight of 253.39 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8R,10S,13R)-2,2,6,13-tetramethyl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane is sourced from PubChem (CID 11990925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).