4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene

C12H18N2 — CID 143591519

IUPAC4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
SMILESCC1(C)C=CC2=C(N=C1)NCCCC2
InChIInChI=1S/C12H18N2/c1-12(2)7-6-10-5-3-4-8-13-11(10)14-9-12/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyGMJZIOBHLCWVPQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.64
Rot. Bonds

About 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene

4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene (PubChem CID 143591519) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene.

Molecular Properties

Compound Name4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
PubChem CID143591519
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
SMILESCC1(C)C=CC2=C(N=C1)NCCCC2
InChIInChI=1S/C12H18N2/c1-12(2)7-6-10-5-3-4-8-13-11(10)14-9-12/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyGMJZIOBHLCWVPQ-UHFFFAOYSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The IUPAC name of 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene (CID 143591519) is 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene.
What is the SMILES notation for 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The canonical SMILES for 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene is CC1(C)C=CC2=C(N=C1)NCCCC2.
What is the InChIKey of 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The InChIKey is GMJZIOBHLCWVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2)7-6-10-5-3-4-8-13-11(10)14-9-12/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene?
4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene has a molecular weight of 190.29 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene is sourced from PubChem (CID 143591519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).