14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine

C13H19N3 — CID 904115

IUPAC14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine
SMILESCN1CCCCc2c1nc1c(c2N)CCC1
InChIInChI=1S/C13H19N3/c1-16-8-3-2-5-10-12(14)9-6-4-7-11(9)15-13(10)16/h2-8H2,1H3,(H2,14,15)
InChIKeyPWCTVGFXLKUXLJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.92
Rot. Bonds

About 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine

14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine (PubChem CID 904115) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine.

Molecular Properties

Compound Name14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine
PubChem CID904115
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine
SMILESCN1CCCCc2c1nc1c(c2N)CCC1
InChIInChI=1S/C13H19N3/c1-16-8-3-2-5-10-12(14)9-6-4-7-11(9)15-13(10)16/h2-8H2,1H3,(H2,14,15)
InChIKeyPWCTVGFXLKUXLJ-UHFFFAOYSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine?
The IUPAC name of 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine (CID 904115) is 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine.
What is the SMILES notation for 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine?
The canonical SMILES for 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine is CN1CCCCc2c1nc1c(c2N)CCC1.
What is the InChIKey of 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine?
The InChIKey is PWCTVGFXLKUXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-16-8-3-2-5-10-12(14)9-6-4-7-11(9)15-13(10)16/h2-8H2,1H3,(H2,14,15).
What are the key properties of 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine?
14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine has a molecular weight of 217.32 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-2,14-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),8-trien-8-amine is sourced from PubChem (CID 904115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).