10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

C16H25N — CID 71119983

IUPAC10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCCC1C=CC2=C(C=C1C)NCCCC2(C)C
InChIInChI=1S/C16H25N/c1-5-13-7-8-14-15(11-12(13)2)17-10-6-9-16(14,3)4/h7-8,11,13,17H,5-6,9-10H2,1-4H3
InChIKeyTZJLVLQQRFILAO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.19
Rot. Bonds1

About 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (PubChem CID 71119983) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.

Molecular Properties

Compound Name10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
PubChem CID71119983
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCCC1C=CC2=C(C=C1C)NCCCC2(C)C
InChIInChI=1S/C16H25N/c1-5-13-7-8-14-15(11-12(13)2)17-10-6-9-16(14,3)4/h7-8,11,13,17H,5-6,9-10H2,1-4H3
InChIKeyTZJLVLQQRFILAO-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The IUPAC name of 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (CID 71119983) is 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.
What is the SMILES notation for 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The canonical SMILES for 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is CCC1C=CC2=C(C=C1C)NCCCC2(C)C.
What is the InChIKey of 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The InChIKey is TZJLVLQQRFILAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-13-7-8-14-15(11-12(13)2)17-10-6-9-16(14,3)4/h7-8,11,13,17H,5-6,9-10H2,1-4H3.
What are the key properties of 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene has a molecular weight of 231.38 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is sourced from PubChem (CID 71119983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).