4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene

C15H20N2 — CID 91343433

IUPAC4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene
SMILESCN1CCC2CN3C=CC4=CC=CC(C2C1)C43
InChIInChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,6,8,12-15H,5,7,9-10H2,1H3
InChIKeyMNAUFXFCKGDVCK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.88
Rot. Bonds

About 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene

4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene (PubChem CID 91343433) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene.

Molecular Properties

Compound Name4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene
PubChem CID91343433
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene
SMILESCN1CCC2CN3C=CC4=CC=CC(C2C1)C43
InChIInChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,6,8,12-15H,5,7,9-10H2,1H3
InChIKeyMNAUFXFCKGDVCK-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene?
The IUPAC name of 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene (CID 91343433) is 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene.
What is the SMILES notation for 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene?
The canonical SMILES for 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene is CN1CCC2CN3C=CC4=CC=CC(C2C1)C43.
What is the InChIKey of 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene?
The InChIKey is MNAUFXFCKGDVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,6,8,12-15H,5,7,9-10H2,1H3.
What are the key properties of 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene?
4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene has a molecular weight of 228.34 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-10,12,14-triene is sourced from PubChem (CID 91343433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).