tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine

C16H13N — CID 118265475

IUPACtricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine
SMILESNc1cccccc2cccc3ccc1cc23
InChIInChI=1S/C16H13N/c17-16-8-3-1-2-5-12-6-4-7-13-9-10-14(16)11-15(12)13/h1-11H,17H2/b2-1-,3-1-,5-2-,8-3-,12-5-,16-8+,16-14+
InChIKeyUPMQKYWMRIWHLL-KDKZFRQWSA-N
MW219.29 g/mol
LogP4.14
Rot. Bonds

About tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine

tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine (PubChem CID 118265475) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine.

Molecular Properties

Compound Nametricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine
PubChem CID118265475
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Nametricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine
SMILESNc1cccccc2cccc3ccc1cc23
InChIInChI=1S/C16H13N/c17-16-8-3-1-2-5-12-6-4-7-13-9-10-14(16)11-15(12)13/h1-11H,17H2/b2-1-,3-1-,5-2-,8-3-,12-5-,16-8+,16-14+
InChIKeyUPMQKYWMRIWHLL-KDKZFRQWSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine?
The IUPAC name of tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine (CID 118265475) is tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine.
What is the SMILES notation for tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine?
The canonical SMILES for tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine is Nc1cccccc2cccc3ccc1cc23.
What is the InChIKey of tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine?
The InChIKey is UPMQKYWMRIWHLL-KDKZFRQWSA-N. The full InChI is InChI=1S/C16H13N/c17-16-8-3-1-2-5-12-6-4-7-13-9-10-14(16)11-15(12)13/h1-11H,17H2/b2-1-,3-1-,5-2-,8-3-,12-5-,16-8+,16-14+.
What are the key properties of tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine?
tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine has a molecular weight of 219.29 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.6.2.04,16]hexadeca-1(14),2,4,6,8,10,12,15-octaen-14-amine is sourced from PubChem (CID 118265475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).