tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine

C15H19N — CID 163795212

IUPACtricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine
SMILESNC1c2ccccc2CCC2CCC=CC21
InChIInChI=1S/C15H19N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3-5,7-8,12,14-15H,2,6,9-10,16H2
InChIKeyNAEGWYBDRHWRSO-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.21
Rot. Bonds

About tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine

tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine (PubChem CID 163795212) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine.

Molecular Properties

Compound Nametricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine
PubChem CID163795212
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine
SMILESNC1c2ccccc2CCC2CCC=CC21
InChIInChI=1S/C15H19N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3-5,7-8,12,14-15H,2,6,9-10,16H2
InChIKeyNAEGWYBDRHWRSO-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine?
The IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine (CID 163795212) is tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine.
What is the SMILES notation for tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine?
The canonical SMILES for tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine is NC1c2ccccc2CCC2CCC=CC21.
What is the InChIKey of tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine?
The InChIKey is NAEGWYBDRHWRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3-5,7-8,12,14-15H,2,6,9-10,16H2.
What are the key properties of tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine?
tricyclo[9.4.0.03,8]pentadeca-1(15),4,11,13-tetraen-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.21, 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),4,11,13-tetraen-2-amine is sourced from PubChem (CID 163795212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).