tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine

C15H15N — CID 54530112

IUPACtricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine
SMILESNC1C2=CC=CCC2=CC=C2C=CC=CC21
InChIInChI=1S/C15H15N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-5,7-10,13,15H,6,16H2
InChIKeyYVXLQHRLMFUETN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.81
Rot. Bonds

About tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine

tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine (PubChem CID 54530112) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine.

Molecular Properties

Compound Nametricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine
PubChem CID54530112
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine
SMILESNC1C2=CC=CCC2=CC=C2C=CC=CC21
InChIInChI=1S/C15H15N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-5,7-10,13,15H,6,16H2
InChIKeyYVXLQHRLMFUETN-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine?
The IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine (CID 54530112) is tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine.
What is the SMILES notation for tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine?
The canonical SMILES for tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine is NC1C2=CC=CCC2=CC=C2C=CC=CC21.
What is the InChIKey of tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine?
The InChIKey is YVXLQHRLMFUETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-5,7-10,13,15H,6,16H2.
What are the key properties of tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine?
tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine is sourced from PubChem (CID 54530112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).