N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide

C5H8N8O8 — CID 12507555

IUPACN-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide
SMILES[N-]=[N+]=NCCCN(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C5H8N8O8/c6-8-7-2-1-3-9(13(20)21)4-5(10(14)15,11(16)17)12(18)19/h1-4H2
InChIKeyAXSSNPWORSCBPS-UHFFFAOYSA-N
MW308.17 g/mol
LogP-0.34
Rot. Bonds10

About N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide

N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide (PubChem CID 12507555) has the molecular formula C5H8N8O8 and a molecular weight of 308.17 g/mol. Its IUPAC name is N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide.

Molecular Properties

Compound NameN-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide
PubChem CID12507555
Molecular FormulaC5H8N8O8
Molecular Weight308.17 g/mol
Exact Mass308.05
IUPAC NameN-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide
SMILES[N-]=[N+]=NCCCN(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C5H8N8O8/c6-8-7-2-1-3-9(13(20)21)4-5(10(14)15,11(16)17)12(18)19/h1-4H2
InChIKeyAXSSNPWORSCBPS-UHFFFAOYSA-N
XLogP-0.34
TPSA224.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide?
The IUPAC name of N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide (CID 12507555) is N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide.
What is the SMILES notation for N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide?
The canonical SMILES for N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide is [N-]=[N+]=NCCCN(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide?
The InChIKey is AXSSNPWORSCBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8O8/c6-8-7-2-1-3-9(13(20)21)4-5(10(14)15,11(16)17)12(18)19/h1-4H2.
What are the key properties of N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide?
N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide has a molecular weight of 308.17 g/mol, XLogP of -0.34, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-N-(2,2,2-trinitroethyl)nitramide is sourced from PubChem (CID 12507555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).