N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine

C19H20N2 — CID 21414244

IUPACN-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine
SMILESCNCCN=C1c2ccccc2C2CC2c2ccccc21
InChIInChI=1S/C19H20N2/c1-20-10-11-21-19-15-8-4-2-6-13(15)17-12-18(17)14-7-3-5-9-16(14)19/h2-9,17-18,20H,10-12H2,1H3
InChIKeyHFTQXFBRFZPMFQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.33
Rot. Bonds3

About N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine

N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine (PubChem CID 21414244) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine
PubChem CID21414244
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine
SMILESCNCCN=C1c2ccccc2C2CC2c2ccccc21
InChIInChI=1S/C19H20N2/c1-20-10-11-21-19-15-8-4-2-6-13(15)17-12-18(17)14-7-3-5-9-16(14)19/h2-9,17-18,20H,10-12H2,1H3
InChIKeyHFTQXFBRFZPMFQ-UHFFFAOYSA-N
XLogP3.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.33
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-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine?
The IUPAC name of N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine (CID 21414244) is N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine.
What is the SMILES notation for N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine?
The canonical SMILES for N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine is CNCCN=C1c2ccccc2C2CC2c2ccccc21.
What is the InChIKey of N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine?
The InChIKey is HFTQXFBRFZPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-20-10-11-21-19-15-8-4-2-6-13(15)17-12-18(17)14-7-3-5-9-16(14)19/h2-9,17-18,20H,10-12H2,1H3.
What are the key properties of N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine?
N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylideneamino)ethanamine is sourced from PubChem (CID 21414244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).