4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

C14H20N2 — CID 86712750

IUPAC4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESCC1(C)CCN2CCNCc3cccc1c32
InChIInChI=1S/C14H20N2/c1-14(2)6-8-16-9-7-15-10-11-4-3-5-12(14)13(11)16/h3-5,15H,6-10H2,1-2H3
InChIKeySZJDWGJWDXVDAG-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.28
Rot. Bonds

About 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (PubChem CID 86712750) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.

Molecular Properties

Compound Name4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
PubChem CID86712750
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESCC1(C)CCN2CCNCc3cccc1c32
InChIInChI=1S/C14H20N2/c1-14(2)6-8-16-9-7-15-10-11-4-3-5-12(14)13(11)16/h3-5,15H,6-10H2,1-2H3
InChIKeySZJDWGJWDXVDAG-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The IUPAC name of 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (CID 86712750) is 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.
What is the SMILES notation for 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The canonical SMILES for 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is CC1(C)CCN2CCNCc3cccc1c32.
What is the InChIKey of 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The InChIKey is SZJDWGJWDXVDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(2)6-8-16-9-7-15-10-11-4-3-5-12(14)13(11)16/h3-5,15H,6-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene has a molecular weight of 216.33 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is sourced from PubChem (CID 86712750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).