N-(6-nitrohexyl)hydroxylamine

C6H14N2O3 — CID 10441988

IUPACN-(6-nitrohexyl)hydroxylamine
SMILESO=[N+]([O-])CCCCCCNO
InChIInChI=1S/C6H14N2O3/c9-7-5-3-1-2-4-6-8(10)11/h7,9H,1-6H2
InChIKeyIVWKVGGVWWCWIE-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.80
Rot. Bonds7

About N-(6-nitrohexyl)hydroxylamine

N-(6-nitrohexyl)hydroxylamine (PubChem CID 10441988) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is N-(6-nitrohexyl)hydroxylamine.

Molecular Properties

Compound NameN-(6-nitrohexyl)hydroxylamine
PubChem CID10441988
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC NameN-(6-nitrohexyl)hydroxylamine
SMILESO=[N+]([O-])CCCCCCNO
InChIInChI=1S/C6H14N2O3/c9-7-5-3-1-2-4-6-8(10)11/h7,9H,1-6H2
InChIKeyIVWKVGGVWWCWIE-UHFFFAOYSA-N
XLogP0.80
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-(6-nitrohexyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-nitrohexyl)hydroxylamine?
The IUPAC name of N-(6-nitrohexyl)hydroxylamine (CID 10441988) is N-(6-nitrohexyl)hydroxylamine.
What is the SMILES notation for N-(6-nitrohexyl)hydroxylamine?
The canonical SMILES for N-(6-nitrohexyl)hydroxylamine is O=[N+]([O-])CCCCCCNO.
What is the InChIKey of N-(6-nitrohexyl)hydroxylamine?
The InChIKey is IVWKVGGVWWCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c9-7-5-3-1-2-4-6-8(10)11/h7,9H,1-6H2.
What are the key properties of N-(6-nitrohexyl)hydroxylamine?
N-(6-nitrohexyl)hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitrohexyl)hydroxylamine is sourced from PubChem (CID 10441988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).