tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine

C15H13N — CID 87454444

IUPACtricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine
SMILESNC1=CC2C=CC=c3ccccc3=C2C=C1
InChIInChI=1S/C15H13N/c16-13-8-9-15-12(10-13)6-3-5-11-4-1-2-7-14(11)15/h1-10,12H,16H2
InChIKeyTVQJZVVSJQWZOY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds

About tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine

tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine (PubChem CID 87454444) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine.

Molecular Properties

Compound Nametricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine
PubChem CID87454444
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Nametricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine
SMILESNC1=CC2C=CC=c3ccccc3=C2C=C1
InChIInChI=1S/C15H13N/c16-13-8-9-15-12(10-13)6-3-5-11-4-1-2-7-14(11)15/h1-10,12H,16H2
InChIKeyTVQJZVVSJQWZOY-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine?
The IUPAC name of tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine (CID 87454444) is tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine.
What is the SMILES notation for tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine?
The canonical SMILES for tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine is NC1=CC2C=CC=c3ccccc3=C2C=C1.
What is the InChIKey of tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine?
The InChIKey is TVQJZVVSJQWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c16-13-8-9-15-12(10-13)6-3-5-11-4-1-2-7-14(11)15/h1-10,12H,16H2.
What are the key properties of tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine?
tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine has a molecular weight of 207.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-5-amine is sourced from PubChem (CID 87454444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).