10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene

C17H23N — CID 22413538

IUPAC10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene
SMILESCN1CCC2CCCC3=C2C1CC1CC=CC=C31
InChIInChI=1S/C17H23N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-3,7,12-13,16H,4-6,8-11H2,1H3
InChIKeyOTXANHWSNPNXFY-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.69
Rot. Bonds

About 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene

10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene (PubChem CID 22413538) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene.

Molecular Properties

Compound Name10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene
PubChem CID22413538
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene
SMILESCN1CCC2CCCC3=C2C1CC1CC=CC=C31
InChIInChI=1S/C17H23N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-3,7,12-13,16H,4-6,8-11H2,1H3
InChIKeyOTXANHWSNPNXFY-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene?
The IUPAC name of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene (CID 22413538) is 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene.
What is the SMILES notation for 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene?
The canonical SMILES for 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene is CN1CCC2CCCC3=C2C1CC1CC=CC=C31.
What is the InChIKey of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene?
The InChIKey is OTXANHWSNPNXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-3,7,12-13,16H,4-6,8-11H2,1H3.
What are the key properties of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene?
10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene has a molecular weight of 241.38 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4-triene is sourced from PubChem (CID 22413538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).