2,6-dinitro-N-[(Z)-nonylideneamino]aniline

C15H22N4O4 — CID 11438649

IUPAC2,6-dinitro-N-[(Z)-nonylideneamino]aniline
SMILESCCCCCCCC/C=N\Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O4/c1-2-3-4-5-6-7-8-12-16-17-15-13(18(20)21)10-9-11-14(15)19(22)23/h9-12,17H,2-8H2,1H3/b16-12-
InChIKeyQSXJODQCSLBYNU-VBKFSLOCSA-N
MW322.37 g/mol
LogP4.65
Rot. Bonds11

About 2,6-dinitro-N-[(Z)-nonylideneamino]aniline

2,6-dinitro-N-[(Z)-nonylideneamino]aniline (PubChem CID 11438649) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2,6-dinitro-N-[(Z)-nonylideneamino]aniline.

Molecular Properties

Compound Name2,6-dinitro-N-[(Z)-nonylideneamino]aniline
PubChem CID11438649
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2,6-dinitro-N-[(Z)-nonylideneamino]aniline
SMILESCCCCCCCC/C=N\Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O4/c1-2-3-4-5-6-7-8-12-16-17-15-13(18(20)21)10-9-11-14(15)19(22)23/h9-12,17H,2-8H2,1H3/b16-12-
InChIKeyQSXJODQCSLBYNU-VBKFSLOCSA-N
XLogP4.65
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2,6-dinitro-N-[(Z)-nonylideneamino]aniline?
The IUPAC name of 2,6-dinitro-N-[(Z)-nonylideneamino]aniline (CID 11438649) is 2,6-dinitro-N-[(Z)-nonylideneamino]aniline.
What is the SMILES notation for 2,6-dinitro-N-[(Z)-nonylideneamino]aniline?
The canonical SMILES for 2,6-dinitro-N-[(Z)-nonylideneamino]aniline is CCCCCCCC/C=N\Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-].
What is the InChIKey of 2,6-dinitro-N-[(Z)-nonylideneamino]aniline?
The InChIKey is QSXJODQCSLBYNU-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-2-3-4-5-6-7-8-12-16-17-15-13(18(20)21)10-9-11-14(15)19(22)23/h9-12,17H,2-8H2,1H3/b16-12-.
What are the key properties of 2,6-dinitro-N-[(Z)-nonylideneamino]aniline?
2,6-dinitro-N-[(Z)-nonylideneamino]aniline has a molecular weight of 322.37 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinitro-N-[(Z)-nonylideneamino]aniline is sourced from PubChem (CID 11438649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).