2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine

C14H19N3 — CID 81462726

IUPAC2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine
SMILESNCc1ccn2c3c(nc2c1)CCCCCC3
InChIInChI=1S/C14H19N3/c15-10-11-7-8-17-13-6-4-2-1-3-5-12(13)16-14(17)9-11/h7-9H,1-6,10,15H2
InChIKeyZTUNUSUAHLIZLM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.45
Rot. Bonds1

About 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine

2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine (PubChem CID 81462726) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine.

Molecular Properties

Compound Name2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine
PubChem CID81462726
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine
SMILESNCc1ccn2c3c(nc2c1)CCCCCC3
InChIInChI=1S/C14H19N3/c15-10-11-7-8-17-13-6-4-2-1-3-5-12(13)16-14(17)9-11/h7-9H,1-6,10,15H2
InChIKeyZTUNUSUAHLIZLM-UHFFFAOYSA-N
XLogP2.45
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine?
The IUPAC name of 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine (CID 81462726) is 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine.
What is the SMILES notation for 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine?
The canonical SMILES for 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine is NCc1ccn2c3c(nc2c1)CCCCCC3.
What is the InChIKey of 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine?
The InChIKey is ZTUNUSUAHLIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-11-7-8-17-13-6-4-2-1-3-5-12(13)16-14(17)9-11/h7-9H,1-6,10,15H2.
What are the key properties of 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine?
2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine is sourced from PubChem (CID 81462726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).