N,N-diethylethanamine;hydroiodide

C6H16IN — CID 10889681

IUPACN,N-diethylethanamine;hydroiodide
SMILESCCN(CC)CC.I
InChIInChI=1S/C6H15N.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKeyXEWVCDMEDQYCHX-UHFFFAOYSA-N
MW229.10 g/mol
LogP1.97
Rot. Bonds3

About N,N-diethylethanamine;hydroiodide

N,N-diethylethanamine;hydroiodide (PubChem CID 10889681) has the molecular formula C6H16IN and a molecular weight of 229.10 g/mol. Its IUPAC name is N,N-diethylethanamine;hydroiodide.

Molecular Properties

Compound NameN,N-diethylethanamine;hydroiodide
PubChem CID10889681
Molecular FormulaC6H16IN
Molecular Weight229.10 g/mol
Exact Mass229.03
IUPAC NameN,N-diethylethanamine;hydroiodide
SMILESCCN(CC)CC.I
InChIInChI=1S/C6H15N.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKeyXEWVCDMEDQYCHX-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hydroiodide?
The IUPAC name of N,N-diethylethanamine;hydroiodide (CID 10889681) is N,N-diethylethanamine;hydroiodide.
What is the SMILES notation for N,N-diethylethanamine;hydroiodide?
The canonical SMILES for N,N-diethylethanamine;hydroiodide is CCN(CC)CC.I.
What is the InChIKey of N,N-diethylethanamine;hydroiodide?
The InChIKey is XEWVCDMEDQYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H.
What are the key properties of N,N-diethylethanamine;hydroiodide?
N,N-diethylethanamine;hydroiodide has a molecular weight of 229.10 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hydroiodide is sourced from PubChem (CID 10889681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).