N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane

C7H15N9O9 — CID 6451475

IUPACN,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane
SMILESCN(C)C=O.O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1
InChIInChI=1S/C4H8N8O8.C3H7NO/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18;1-4(2)3-5/h1-4H2;3H,1-2H3
InChIKeyAAIMWVVYPGXYTB-UHFFFAOYSA-N
MW369.25 g/mol
LogP-2.49
Rot. Bonds5

About N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane

N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane (PubChem CID 6451475) has the molecular formula C7H15N9O9 and a molecular weight of 369.25 g/mol. Its IUPAC name is N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane.

Molecular Properties

Compound NameN,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane
PubChem CID6451475
Molecular FormulaC7H15N9O9
Molecular Weight369.25 g/mol
Exact Mass369.10
IUPAC NameN,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane
SMILESCN(C)C=O.O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1
InChIInChI=1S/C4H8N8O8.C3H7NO/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18;1-4(2)3-5/h1-4H2;3H,1-2H3
InChIKeyAAIMWVVYPGXYTB-UHFFFAOYSA-N
XLogP-2.49
TPSA205.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 5-2.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane?
The IUPAC name of N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane (CID 6451475) is N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane.
What is the SMILES notation for N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane?
The canonical SMILES for N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane is CN(C)C=O.O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1.
What is the InChIKey of N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane?
The InChIKey is AAIMWVVYPGXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N8O8.C3H7NO/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18;1-4(2)3-5/h1-4H2;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane?
N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane has a molecular weight of 369.25 g/mol, XLogP of -2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,3,5,7-tetranitro-1,3,5,7-tetrazocane is sourced from PubChem (CID 6451475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).