N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine

C13H19N5 — CID 53320653

IUPACN-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
SMILESCCN(C)c1c2c(nc3ccnn13)CCNCC2
InChIInChI=1S/C13H19N5/c1-3-17(2)13-10-4-7-14-8-5-11(10)16-12-6-9-15-18(12)13/h6,9,14H,3-5,7-8H2,1-2H3
InChIKeyRARQMZVTBUEGEQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.87
Rot. Bonds2

About N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine

N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine (PubChem CID 53320653) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
PubChem CID53320653
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
SMILESCCN(C)c1c2c(nc3ccnn13)CCNCC2
InChIInChI=1S/C13H19N5/c1-3-17(2)13-10-4-7-14-8-5-11(10)16-12-6-9-15-18(12)13/h6,9,14H,3-5,7-8H2,1-2H3
InChIKeyRARQMZVTBUEGEQ-UHFFFAOYSA-N
XLogP0.87
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine?
The IUPAC name of N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine (CID 53320653) is N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine.
What is the SMILES notation for N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine?
The canonical SMILES for N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine is CCN(C)c1c2c(nc3ccnn13)CCNCC2.
What is the InChIKey of N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine?
The InChIKey is RARQMZVTBUEGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-17(2)13-10-4-7-14-8-5-11(10)16-12-6-9-15-18(12)13/h6,9,14H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine?
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine has a molecular weight of 245.33 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine is sourced from PubChem (CID 53320653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).