ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C15H23N — CID 123326497

IUPACethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC.Cc1ccc2c(c1)C1CCNC(C2)C1
InChIInChI=1S/C13H17N.C2H6/c1-9-2-3-10-7-12-8-11(4-5-14-12)13(10)6-9;1-2/h2-3,6,11-12,14H,4-5,7-8H2,1H3;1-2H3
InChIKeyHFVMAPVDLMMASG-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.41
Rot. Bonds

About ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 123326497) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Nameethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID123326497
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC.Cc1ccc2c(c1)C1CCNC(C2)C1
InChIInChI=1S/C13H17N.C2H6/c1-9-2-3-10-7-12-8-11(4-5-14-12)13(10)6-9;1-2/h2-3,6,11-12,14H,4-5,7-8H2,1H3;1-2H3
InChIKeyHFVMAPVDLMMASG-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 123326497) is ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is CC.Cc1ccc2c(c1)C1CCNC(C2)C1.
What is the InChIKey of ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is HFVMAPVDLMMASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-9-2-3-10-7-12-8-11(4-5-14-12)13(10)6-9;1-2/h2-3,6,11-12,14H,4-5,7-8H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 217.36 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 123326497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).