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

C18H20N2 — CID 21483811

IUPACN-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
SMILESCNCCN=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H20N2/c1-19-12-13-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3
InChIKeyDMFQCMUPCWDBAT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.84
Rot. Bonds3

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

N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine (PubChem CID 21483811) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
PubChem CID21483811
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
SMILESCNCCN=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H20N2/c1-19-12-13-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3
InChIKeyDMFQCMUPCWDBAT-UHFFFAOYSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The IUPAC name of N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine (CID 21483811) is N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine.
What is the SMILES notation for N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The canonical SMILES for N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine is CNCCN=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The InChIKey is DMFQCMUPCWDBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-19-12-13-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3.
What are the key properties of N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine is sourced from PubChem (CID 21483811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).