7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine

C15H21N3 — CID 15286763

IUPAC7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine
SMILESNC1CCCCNCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H21N3/c16-13-6-3-4-9-17-10-8-12-11-5-1-2-7-14(11)18-15(12)13/h1-2,5,7,13,17-18H,3-4,6,8-10,16H2
InChIKeyUWSGEWMTRVDJPU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.48
Rot. Bonds

About 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine

7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine (PubChem CID 15286763) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine.

Molecular Properties

Compound Name7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine
PubChem CID15286763
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine
SMILESNC1CCCCNCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H21N3/c16-13-6-3-4-9-17-10-8-12-11-5-1-2-7-14(11)18-15(12)13/h1-2,5,7,13,17-18H,3-4,6,8-10,16H2
InChIKeyUWSGEWMTRVDJPU-UHFFFAOYSA-N
XLogP2.48
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine?
The IUPAC name of 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine (CID 15286763) is 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine.
What is the SMILES notation for 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine?
The canonical SMILES for 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine is NC1CCCCNCCc2c1[nH]c1ccccc21.
What is the InChIKey of 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine?
The InChIKey is UWSGEWMTRVDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-13-6-3-4-9-17-10-8-12-11-5-1-2-7-14(11)18-15(12)13/h1-2,5,7,13,17-18H,3-4,6,8-10,16H2.
What are the key properties of 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine?
7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.48, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine is sourced from PubChem (CID 15286763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).