6-nitrohexan-1-amine

C6H14N2O2 — CID 19832595

IUPAC6-nitrohexan-1-amine
SMILESNCCCCCC[N+](=O)[O-]
InChIInChI=1S/C6H14N2O2/c7-5-3-1-2-4-6-8(9)10/h1-7H2
InChIKeyJGSSXJVGISIKRS-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds6

About 6-nitrohexan-1-amine

6-nitrohexan-1-amine (PubChem CID 19832595) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6-nitrohexan-1-amine.

Molecular Properties

Compound Name6-nitrohexan-1-amine
PubChem CID19832595
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name6-nitrohexan-1-amine
SMILESNCCCCCC[N+](=O)[O-]
InChIInChI=1S/C6H14N2O2/c7-5-3-1-2-4-6-8(9)10/h1-7H2
InChIKeyJGSSXJVGISIKRS-UHFFFAOYSA-N
XLogP0.78
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 6-nitrohexan-1-amine?
The IUPAC name of 6-nitrohexan-1-amine (CID 19832595) is 6-nitrohexan-1-amine.
What is the SMILES notation for 6-nitrohexan-1-amine?
The canonical SMILES for 6-nitrohexan-1-amine is NCCCCCC[N+](=O)[O-].
What is the InChIKey of 6-nitrohexan-1-amine?
The InChIKey is JGSSXJVGISIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-5-3-1-2-4-6-8(9)10/h1-7H2.
What are the key properties of 6-nitrohexan-1-amine?
6-nitrohexan-1-amine has a molecular weight of 146.19 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitrohexan-1-amine is sourced from PubChem (CID 19832595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).