5-nitropentan-1-amine

C5H12N2O2 — CID 18987841

IUPAC5-nitropentan-1-amine
SMILESNCCCCC[N+](=O)[O-]
InChIInChI=1S/C5H12N2O2/c6-4-2-1-3-5-7(8)9/h1-6H2
InChIKeyFXBNMXOJAIGPKI-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.39
Rot. Bonds5

About 5-nitropentan-1-amine

5-nitropentan-1-amine (PubChem CID 18987841) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 5-nitropentan-1-amine.

Molecular Properties

Compound Name5-nitropentan-1-amine
PubChem CID18987841
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name5-nitropentan-1-amine
SMILESNCCCCC[N+](=O)[O-]
InChIInChI=1S/C5H12N2O2/c6-4-2-1-3-5-7(8)9/h1-6H2
InChIKeyFXBNMXOJAIGPKI-UHFFFAOYSA-N
XLogP0.39
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.39
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 5-nitropentan-1-amine?
The IUPAC name of 5-nitropentan-1-amine (CID 18987841) is 5-nitropentan-1-amine.
What is the SMILES notation for 5-nitropentan-1-amine?
The canonical SMILES for 5-nitropentan-1-amine is NCCCCC[N+](=O)[O-].
What is the InChIKey of 5-nitropentan-1-amine?
The InChIKey is FXBNMXOJAIGPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-4-2-1-3-5-7(8)9/h1-6H2.
What are the key properties of 5-nitropentan-1-amine?
5-nitropentan-1-amine has a molecular weight of 132.16 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitropentan-1-amine is sourced from PubChem (CID 18987841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).