octane-1,8-diamine;hydroiodide

C8H21IN2 — CID 166637894

IUPACoctane-1,8-diamine;hydroiodide
SMILESI.NCCCCCCCCN
InChIInChI=1S/C8H20N2.HI/c9-7-5-3-1-2-4-6-8-10;/h1-10H2;1H
InChIKeyAHDQZUAZMPDZCY-UHFFFAOYSA-N
MW272.17 g/mol
LogP1.86
Rot. Bonds7

About octane-1,8-diamine;hydroiodide

octane-1,8-diamine;hydroiodide (PubChem CID 166637894) has the molecular formula C8H21IN2 and a molecular weight of 272.17 g/mol. Its IUPAC name is octane-1,8-diamine;hydroiodide.

Molecular Properties

Compound Nameoctane-1,8-diamine;hydroiodide
PubChem CID166637894
Molecular FormulaC8H21IN2
Molecular Weight272.17 g/mol
Exact Mass272.07
IUPAC Nameoctane-1,8-diamine;hydroiodide
SMILESI.NCCCCCCCCN
InChIInChI=1S/C8H20N2.HI/c9-7-5-3-1-2-4-6-8-10;/h1-10H2;1H
InChIKeyAHDQZUAZMPDZCY-UHFFFAOYSA-N
XLogP1.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 87582695
hexane-1,6-diamine;platinum
CID 87698683
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CID 11693801
ethene;pentane-1,5-diamine
CID 155743145
hexane-1,6-diamine;methanamine
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Frequently Asked Questions

What is the IUPAC name of octane-1,8-diamine;hydroiodide?
The IUPAC name of octane-1,8-diamine;hydroiodide (CID 166637894) is octane-1,8-diamine;hydroiodide.
What is the SMILES notation for octane-1,8-diamine;hydroiodide?
The canonical SMILES for octane-1,8-diamine;hydroiodide is I.NCCCCCCCCN.
What is the InChIKey of octane-1,8-diamine;hydroiodide?
The InChIKey is AHDQZUAZMPDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.HI/c9-7-5-3-1-2-4-6-8-10;/h1-10H2;1H.
What are the key properties of octane-1,8-diamine;hydroiodide?
octane-1,8-diamine;hydroiodide has a molecular weight of 272.17 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,8-diamine;hydroiodide is sourced from PubChem (CID 166637894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).