2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine

C17H18N2 — CID 21483778

IUPAC2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
SMILESNCCN=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H18N2/c18-11-12-19-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8H,9-12,18H2
InChIKeyRQTREMNRLMOSTE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine

2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine (PubChem CID 21483778) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine.

Molecular Properties

Compound Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
PubChem CID21483778
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
SMILESNCCN=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H18N2/c18-11-12-19-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8H,9-12,18H2
InChIKeyRQTREMNRLMOSTE-UHFFFAOYSA-N
XLogP2.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine (CID 21483778) is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine.
What is the SMILES notation for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The canonical SMILES for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine is NCCN=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The InChIKey is RQTREMNRLMOSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-11-12-19-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8H,9-12,18H2.
What are the key properties of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine is sourced from PubChem (CID 21483778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).