4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene

C14H18N2 — CID 142928653

IUPAC4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene
SMILESCC1C=Cc2[nH]c3c(c2C=C1)CN(C)CC3
InChIInChI=1S/C14H18N2/c1-10-3-5-11-12-9-16(2)8-7-14(12)15-13(11)6-4-10/h3-6,10,15H,7-9H2,1-2H3
InChIKeyGELFVGVEPCBHNM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.68
Rot. Bonds

About 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene

4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene (PubChem CID 142928653) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene.

Molecular Properties

Compound Name4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene
PubChem CID142928653
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene
SMILESCC1C=Cc2[nH]c3c(c2C=C1)CN(C)CC3
InChIInChI=1S/C14H18N2/c1-10-3-5-11-12-9-16(2)8-7-14(12)15-13(11)6-4-10/h3-6,10,15H,7-9H2,1-2H3
InChIKeyGELFVGVEPCBHNM-UHFFFAOYSA-N
XLogP2.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene?
The IUPAC name of 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene (CID 142928653) is 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene.
What is the SMILES notation for 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene?
The canonical SMILES for 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene is CC1C=Cc2[nH]c3c(c2C=C1)CN(C)CC3.
What is the InChIKey of 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene?
The InChIKey is GELFVGVEPCBHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-3-5-11-12-9-16(2)8-7-14(12)15-13(11)6-4-10/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene?
4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene has a molecular weight of 214.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene is sourced from PubChem (CID 142928653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).