ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene

C24H49N — CID 144512965

IUPACethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene
SMILESC.CC.CC.CC.CC.CC1=CCC2=C3C(=C1)CCCN3CCCC2
InChIInChI=1S/C15H21N.4C2H6.CH4/c1-12-7-8-13-5-2-3-9-16-10-4-6-14(11-12)15(13)16;4*1-2;/h7,11H,2-6,8-10H2,1H3;4*1-2H3;1H4
InChIKeyTWPHIUJITONUEI-UHFFFAOYSA-N
MW351.66 g/mol
LogP8.54
Rot. Bonds

About ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene

ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene (PubChem CID 144512965) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene.

Molecular Properties

Compound Nameethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene
PubChem CID144512965
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Nameethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene
SMILESC.CC.CC.CC.CC.CC1=CCC2=C3C(=C1)CCCN3CCCC2
InChIInChI=1S/C15H21N.4C2H6.CH4/c1-12-7-8-13-5-2-3-9-16-10-4-6-14(11-12)15(13)16;4*1-2;/h7,11H,2-6,8-10H2,1H3;4*1-2H3;1H4
InChIKeyTWPHIUJITONUEI-UHFFFAOYSA-N
XLogP8.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene?
The IUPAC name of ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene (CID 144512965) is ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene.
What is the SMILES notation for ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene?
The canonical SMILES for ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene is C.CC.CC.CC.CC.CC1=CCC2=C3C(=C1)CCCN3CCCC2.
What is the InChIKey of ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene?
The InChIKey is TWPHIUJITONUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.4C2H6.CH4/c1-12-7-8-13-5-2-3-9-16-10-4-6-14(11-12)15(13)16;4*1-2;/h7,11H,2-6,8-10H2,1H3;4*1-2H3;1H4.
What are the key properties of ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene?
ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene has a molecular weight of 351.66 g/mol, XLogP of 8.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;7-methyl-1-azatricyclo[8.4.1.05,15]pentadeca-5,7,10(15)-triene is sourced from PubChem (CID 144512965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).