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

C21H26N2 — CID 21483826

IUPACN,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
SMILESCCN(CC)CCN=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H26N2/c1-3-23(4-2)16-15-22-21-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,3-4,13-16H2,1-2H3
InChIKeyHXOBQRZIXMCOLZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.96
Rot. Bonds5

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

N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine (PubChem CID 21483826) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
PubChem CID21483826
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
SMILESCCN(CC)CCN=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H26N2/c1-3-23(4-2)16-15-22-21-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,3-4,13-16H2,1-2H3
InChIKeyHXOBQRZIXMCOLZ-UHFFFAOYSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
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 N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine (CID 21483826) is N,N-diethyl-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,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine is CCN(CC)CCN=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
The InChIKey is HXOBQRZIXMCOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-3-23(4-2)16-15-22-21-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine?
N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine has a molecular weight of 306.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine is sourced from PubChem (CID 21483826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).