3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine

C15H17N3 — CID 142710262

IUPAC3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
SMILESNc1ncc2c(n1)-c1ccccc1CCCCC2
InChIInChI=1S/C15H17N3/c16-15-17-10-12-8-3-1-2-6-11-7-4-5-9-13(11)14(12)18-15/h4-5,7,9-10H,1-3,6,8H2,(H2,16,17,18)
InChIKeyPKBZRFFUUGRGEA-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.99
Rot. Bonds

About 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine

3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine (PubChem CID 142710262) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine.

Molecular Properties

Compound Name3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
PubChem CID142710262
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
SMILESNc1ncc2c(n1)-c1ccccc1CCCCC2
InChIInChI=1S/C15H17N3/c16-15-17-10-12-8-3-1-2-6-11-7-4-5-9-13(11)14(12)18-15/h4-5,7,9-10H,1-3,6,8H2,(H2,16,17,18)
InChIKeyPKBZRFFUUGRGEA-UHFFFAOYSA-N
XLogP2.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine?
The IUPAC name of 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine (CID 142710262) is 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine.
What is the SMILES notation for 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine?
The canonical SMILES for 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine is Nc1ncc2c(n1)-c1ccccc1CCCCC2.
What is the InChIKey of 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine?
The InChIKey is PKBZRFFUUGRGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-15-17-10-12-8-3-1-2-6-11-7-4-5-9-13(11)14(12)18-15/h4-5,7,9-10H,1-3,6,8H2,(H2,16,17,18).
What are the key properties of 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine?
3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine is sourced from PubChem (CID 142710262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).