4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane

C18H31N — CID 123327480

IUPAC4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane
SMILESCCC1CCC(C)(CC)C2NCC3(C)CC4(C3)CC124
InChIInChI=1S/C18H31N/c1-5-13-7-8-16(4,6-2)14-18(13)11-17(18)9-15(3,10-17)12-19-14/h13-14,19H,5-12H2,1-4H3
InChIKeyYGOHNUOLVAEGQT-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.37
Rot. Bonds2

About 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane

4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane (PubChem CID 123327480) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane.

Molecular Properties

Compound Name4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane
PubChem CID123327480
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane
SMILESCCC1CCC(C)(CC)C2NCC3(C)CC4(C3)CC124
InChIInChI=1S/C18H31N/c1-5-13-7-8-16(4,6-2)14-18(13)11-17(18)9-15(3,10-17)12-19-14/h13-14,19H,5-12H2,1-4H3
InChIKeyYGOHNUOLVAEGQT-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane?
The IUPAC name of 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane (CID 123327480) is 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane.
What is the SMILES notation for 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane?
The canonical SMILES for 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane is CCC1CCC(C)(CC)C2NCC3(C)CC4(C3)CC124.
What is the InChIKey of 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane?
The InChIKey is YGOHNUOLVAEGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-13-7-8-16(4,6-2)14-18(13)11-17(18)9-15(3,10-17)12-19-14/h13-14,19H,5-12H2,1-4H3.
What are the key properties of 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane?
4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane has a molecular weight of 261.45 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane is sourced from PubChem (CID 123327480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).