1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine

C19H27N3 — CID 3609939

IUPAC1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCCCCCCCCCC2
InChIInChI=1S/C19H27N3/c20-19-16-12-9-10-13-17(16)21-18-14-8-6-4-2-1-3-5-7-11-15-22(18)19/h9-10,12-13,20H,1-8,11,14-15H2/b20-19+
InChIKeyRVBSLUQLFIASQC-FMQUCBEESA-N
MW297.45 g/mol
LogP4.58
Rot. Bonds

About 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine

1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine (PubChem CID 3609939) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine.

Molecular Properties

Compound Name1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine
PubChem CID3609939
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCCCCCCCCCC2
InChIInChI=1S/C19H27N3/c20-19-16-12-9-10-13-17(16)21-18-14-8-6-4-2-1-3-5-7-11-15-22(18)19/h9-10,12-13,20H,1-8,11,14-15H2/b20-19+
InChIKeyRVBSLUQLFIASQC-FMQUCBEESA-N
XLogP4.58
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine?
The IUPAC name of 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine (CID 3609939) is 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine.
What is the SMILES notation for 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine?
The canonical SMILES for 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine is [H]/N=c1\c2ccccc2nc2n1CCCCCCCCCCC2.
What is the InChIKey of 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine?
The InChIKey is RVBSLUQLFIASQC-FMQUCBEESA-N. The full InChI is InChI=1S/C19H27N3/c20-19-16-12-9-10-13-17(16)21-18-14-8-6-4-2-1-3-5-7-11-15-22(18)19/h9-10,12-13,20H,1-8,11,14-15H2/b20-19+.
What are the key properties of 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine?
1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine has a molecular weight of 297.45 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-diazatricyclo[11.8.0.015,20]henicosa-13,15,17,19-tetraen-21-imine is sourced from PubChem (CID 3609939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).