tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine

C15H13N — CID 22665415

IUPACtricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine
SMILESNC1c2ccccccc3ccccc3c21
InChIInChI=1S/C15H13N/c16-15-13-10-4-2-1-3-7-11-8-5-6-9-12(11)14(13)15/h1-10,15H,16H2/b2-1-,3-1+,4-2-,7-3+,10-4-,11-7-,13-10+,14-12+
InChIKeyLYXDYBFEKDMBOK-BEBYVUFKSA-N
MW207.28 g/mol
LogP3.33
Rot. Bonds

About tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine

tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine (PubChem CID 22665415) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine.

Molecular Properties

Compound Nametricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine
PubChem CID22665415
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Nametricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine
SMILESNC1c2ccccccc3ccccc3c21
InChIInChI=1S/C15H13N/c16-15-13-10-4-2-1-3-7-11-8-5-6-9-12(11)14(13)15/h1-10,15H,16H2/b2-1-,3-1+,4-2-,7-3+,10-4-,11-7-,13-10+,14-12+
InChIKeyLYXDYBFEKDMBOK-BEBYVUFKSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine?
The IUPAC name of tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine (CID 22665415) is tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine.
What is the SMILES notation for tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine?
The canonical SMILES for tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine is NC1c2ccccccc3ccccc3c21.
What is the InChIKey of tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine?
The InChIKey is LYXDYBFEKDMBOK-BEBYVUFKSA-N. The full InChI is InChI=1S/C15H13N/c16-15-13-10-4-2-1-3-7-11-8-5-6-9-12(11)14(13)15/h1-10,15H,16H2/b2-1-,3-1+,4-2-,7-3+,10-4-,11-7-,13-10+,14-12+.
What are the key properties of tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine?
tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine has a molecular weight of 207.28 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.02,4]pentadeca-1(15),2(4),5,7,9,11,13-heptaen-3-amine is sourced from PubChem (CID 22665415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).