butane;ethanamine;bis(nitric acid)

C6H19N3O6 — CID 175325430

IUPACbutane;ethanamine;bis(nitric acid)
SMILESCCCC.CCN.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C4H10.C2H7N.2HNO3/c1-3-4-2;1-2-3;2*2-1(3)4/h3-4H2,1-2H3;2-3H2,1H3;2*(H,2,3,4)
InChIKeyRICUKWVOFPQVGK-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.08
Rot. Bonds1

About butane;ethanamine;bis(nitric acid)

butane;ethanamine;bis(nitric acid) (PubChem CID 175325430) has the molecular formula C6H19N3O6 and a molecular weight of 229.23 g/mol. Its IUPAC name is butane;ethanamine;bis(nitric acid).

Molecular Properties

Compound Namebutane;ethanamine;bis(nitric acid)
PubChem CID175325430
Molecular FormulaC6H19N3O6
Molecular Weight229.23 g/mol
Exact Mass229.13
IUPAC Namebutane;ethanamine;bis(nitric acid)
SMILESCCCC.CCN.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C4H10.C2H7N.2HNO3/c1-3-4-2;1-2-3;2*2-1(3)4/h3-4H2,1-2H3;2-3H2,1H3;2*(H,2,3,4)
InChIKeyRICUKWVOFPQVGK-UHFFFAOYSA-N
XLogP1.08
TPSA152.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-methylbutane;nitric acid
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CID 174743250
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Frequently Asked Questions

What is the IUPAC name of butane;ethanamine;bis(nitric acid)?
The IUPAC name of butane;ethanamine;bis(nitric acid) (CID 175325430) is butane;ethanamine;bis(nitric acid).
What is the SMILES notation for butane;ethanamine;bis(nitric acid)?
The canonical SMILES for butane;ethanamine;bis(nitric acid) is CCCC.CCN.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of butane;ethanamine;bis(nitric acid)?
The InChIKey is RICUKWVOFPQVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H7N.2HNO3/c1-3-4-2;1-2-3;2*2-1(3)4/h3-4H2,1-2H3;2-3H2,1H3;2*(H,2,3,4).
What are the key properties of butane;ethanamine;bis(nitric acid)?
butane;ethanamine;bis(nitric acid) has a molecular weight of 229.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethanamine;bis(nitric acid) is sourced from PubChem (CID 175325430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).