4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene

C17H23N — CID 91074705

IUPAC4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)C13CCCCC1C(C2)N(C)C3
InChIInChI=1S/C17H23N/c1-12-6-7-13-10-16-14-5-3-4-8-17(14,11-18(16)2)15(13)9-12/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyFFBARDCQAQUZNL-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.29
Rot. Bonds

About 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene

4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene (PubChem CID 91074705) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene.

Molecular Properties

Compound Name4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene
PubChem CID91074705
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)C13CCCCC1C(C2)N(C)C3
InChIInChI=1S/C17H23N/c1-12-6-7-13-10-16-14-5-3-4-8-17(14,11-18(16)2)15(13)9-12/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyFFBARDCQAQUZNL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene?
The IUPAC name of 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene (CID 91074705) is 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene.
What is the SMILES notation for 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene?
The canonical SMILES for 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene is Cc1ccc2c(c1)C13CCCCC1C(C2)N(C)C3.
What is the InChIKey of 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene?
The InChIKey is FFBARDCQAQUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12-6-7-13-10-16-14-5-3-4-8-17(14,11-18(16)2)15(13)9-12/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene?
4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene has a molecular weight of 241.38 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene is sourced from PubChem (CID 91074705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).