3-(dimethylamino)propylazanium iodide

C5H15IN2 — CID 172788756

IUPAC3-(dimethylamino)propylazanium iodide
SMILESCN(C)CCC[NH3+].[I-]
InChIInChI=1S/C5H14N2.HI/c1-7(2)5-3-4-6;/h3-6H2,1-2H3;1H
InChIKeyPGPWDUACZDSURI-UHFFFAOYSA-N
MW230.09 g/mol
LogP-3.82
Rot. Bonds3

About 3-(dimethylamino)propylazanium iodide

3-(dimethylamino)propylazanium iodide (PubChem CID 172788756) has the molecular formula C5H15IN2 and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-(dimethylamino)propylazanium iodide.

Molecular Properties

Compound Name3-(dimethylamino)propylazanium iodide
PubChem CID172788756
Molecular FormulaC5H15IN2
Molecular Weight230.09 g/mol
Exact Mass230.03
IUPAC Name3-(dimethylamino)propylazanium iodide
SMILESCN(C)CCC[NH3+].[I-]
InChIInChI=1S/C5H14N2.HI/c1-7(2)5-3-4-6;/h3-6H2,1-2H3;1H
InChIKeyPGPWDUACZDSURI-UHFFFAOYSA-N
XLogP-3.82
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 5-3.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-azaniumylhexyl(trimethyl)azanium;6-(dimethylamino)hexyl-trimethylazanium;bromide;diiodide
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N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
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4-(dimethylamino)butanethial
CID 54408635
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
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N,N-dimethylbutan-1-amine
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N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
3-[3-azaniumylpropyl-[3-[3-[bis(3-azaniumylpropyl)amino]propyl-[3-[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-azaniumylpropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]amino]propylazanium
CID 102469282
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
CID 88826921
CID 88826921
CID 175787026
CID 175787026
CID 173338058
CID 173338058

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propylazanium iodide?
The IUPAC name of 3-(dimethylamino)propylazanium iodide (CID 172788756) is 3-(dimethylamino)propylazanium iodide.
What is the SMILES notation for 3-(dimethylamino)propylazanium iodide?
The canonical SMILES for 3-(dimethylamino)propylazanium iodide is CN(C)CCC[NH3+].[I-].
What is the InChIKey of 3-(dimethylamino)propylazanium iodide?
The InChIKey is PGPWDUACZDSURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.HI/c1-7(2)5-3-4-6;/h3-6H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)propylazanium iodide?
3-(dimethylamino)propylazanium iodide has a molecular weight of 230.09 g/mol, XLogP of -3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propylazanium iodide is sourced from PubChem (CID 172788756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).