tris(nitric acid);tris(octan-1-amine)

C24H60N6O9 — CID 173444772

IUPACtris(nitric acid);tris(octan-1-amine)
SMILESCCCCCCCCN.CCCCCCCCN.CCCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/3C8H19N.3HNO3/c3*1-2-3-4-5-6-7-8-9;3*2-1(3)4/h3*2-9H2,1H3;3*(H,2,3,4)
InChIKeyOQVUIFJERWVTCQ-UHFFFAOYSA-N
MW576.78 g/mol
LogP5.87
Rot. Bonds18

About tris(nitric acid);tris(octan-1-amine)

tris(nitric acid);tris(octan-1-amine) (PubChem CID 173444772) has the molecular formula C24H60N6O9 and a molecular weight of 576.78 g/mol. Its IUPAC name is tris(nitric acid);tris(octan-1-amine).

Molecular Properties

Compound Nametris(nitric acid);tris(octan-1-amine)
PubChem CID173444772
Molecular FormulaC24H60N6O9
Molecular Weight576.78 g/mol
Exact Mass576.44
IUPAC Nametris(nitric acid);tris(octan-1-amine)
SMILESCCCCCCCCN.CCCCCCCCN.CCCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/3C8H19N.3HNO3/c3*1-2-3-4-5-6-7-8-9;3*2-1(3)4/h3*2-9H2,1H3;3*(H,2,3,4)
InChIKeyOQVUIFJERWVTCQ-UHFFFAOYSA-N
XLogP5.87
TPSA268.17 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 55.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
hexadecan-1-amine;propan-2-one
CID 175396285
2-nitrophenol;octadecan-1-amine
CID 86091351
butane;ethanamine;bis(nitric acid)
CID 175325430
CID 158863549
CID 158863549
dodecan-1-amine;methane
CID 87204504
decane;decane-1,10-diamine;methanediamine
CID 158649191

Frequently Asked Questions

What is the IUPAC name of tris(nitric acid);tris(octan-1-amine)?
The IUPAC name of tris(nitric acid);tris(octan-1-amine) (CID 173444772) is tris(nitric acid);tris(octan-1-amine).
What is the SMILES notation for tris(nitric acid);tris(octan-1-amine)?
The canonical SMILES for tris(nitric acid);tris(octan-1-amine) is CCCCCCCCN.CCCCCCCCN.CCCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of tris(nitric acid);tris(octan-1-amine)?
The InChIKey is OQVUIFJERWVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H19N.3HNO3/c3*1-2-3-4-5-6-7-8-9;3*2-1(3)4/h3*2-9H2,1H3;3*(H,2,3,4).
What are the key properties of tris(nitric acid);tris(octan-1-amine)?
tris(nitric acid);tris(octan-1-amine) has a molecular weight of 576.78 g/mol, XLogP of 5.87, 18 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(nitric acid);tris(octan-1-amine) is sourced from PubChem (CID 173444772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).