N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline

C18H19N3 — CID 54610436

IUPACN-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline
SMILESc1ccc(N/N=C2/CCN3CCCc4cccc2c43)cc1
InChIInChI=1S/C18H19N3/c1-2-8-15(9-3-1)19-20-17-11-13-21-12-5-7-14-6-4-10-16(17)18(14)21/h1-4,6,8-10,19H,5,7,11-13H2/b20-17-
InChIKeyLRVUOQBWEVXAQG-JZJYNLBNSA-N
MW277.37 g/mol
LogP3.66
Rot. Bonds2

About N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline

N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline (PubChem CID 54610436) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline
PubChem CID54610436
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline
SMILESc1ccc(N/N=C2/CCN3CCCc4cccc2c43)cc1
InChIInChI=1S/C18H19N3/c1-2-8-15(9-3-1)19-20-17-11-13-21-12-5-7-14-6-4-10-16(17)18(14)21/h1-4,6,8-10,19H,5,7,11-13H2/b20-17-
InChIKeyLRVUOQBWEVXAQG-JZJYNLBNSA-N
XLogP3.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline?
The IUPAC name of N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline (CID 54610436) is N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline.
What is the SMILES notation for N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline?
The canonical SMILES for N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline is c1ccc(N/N=C2/CCN3CCCc4cccc2c43)cc1.
What is the InChIKey of N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline?
The InChIKey is LRVUOQBWEVXAQG-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-8-15(9-3-1)19-20-17-11-13-21-12-5-7-14-6-4-10-16(17)18(14)21/h1-4,6,8-10,19H,5,7,11-13H2/b20-17-.
What are the key properties of N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline?
N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]aniline is sourced from PubChem (CID 54610436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).