5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine

C8H14N4O2 — CID 122641497

IUPAC5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine
SMILESNCCCCCc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H14N4O2/c9-5-3-1-2-4-7-6-10-8(11-7)12(13)14/h6H,1-5,9H2,(H,10,11)
InChIKeyCNPTVMMXUGVOTQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.99
Rot. Bonds6

About 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine

5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine (PubChem CID 122641497) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine
PubChem CID122641497
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine
SMILESNCCCCCc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H14N4O2/c9-5-3-1-2-4-7-6-10-8(11-7)12(13)14/h6H,1-5,9H2,(H,10,11)
InChIKeyCNPTVMMXUGVOTQ-UHFFFAOYSA-N
XLogP0.99
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.99
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine?
The IUPAC name of 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine (CID 122641497) is 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine is NCCCCCc1cnc([N+](=O)[O-])[nH]1.
What is the InChIKey of 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine?
The InChIKey is CNPTVMMXUGVOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-5-3-1-2-4-7-6-10-8(11-7)12(13)14/h6H,1-5,9H2,(H,10,11).
What are the key properties of 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine?
5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine has a molecular weight of 198.23 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine is sourced from PubChem (CID 122641497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).