3-iodo-N,N-dimethylpropan-1-amine;hydrochloride

C5H13ClIN — CID 134304472

IUPAC3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCI.Cl
InChIInChI=1S/C5H12IN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKeyYHEGSBUEYSXGCM-UHFFFAOYSA-N
MW249.52 g/mol
LogP1.79
Rot. Bonds3

About 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride

3-iodo-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 134304472) has the molecular formula C5H13ClIN and a molecular weight of 249.52 g/mol. Its IUPAC name is 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID134304472
Molecular FormulaC5H13ClIN
Molecular Weight249.52 g/mol
Exact Mass248.98
IUPAC Name3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCI.Cl
InChIInChI=1S/C5H12IN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKeyYHEGSBUEYSXGCM-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N,N-dimethylpentan-1-amine
CID 139910591
17-iodo-N,N-dimethylheptadecan-1-amine
CID 171063182
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 107845044
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
3-iodopropyl(methyl)carbamic acid
CID 21077788

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride (CID 134304472) is 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCI.Cl.
What is the InChIKey of 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is YHEGSBUEYSXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12IN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H.
What are the key properties of 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride?
3-iodo-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 249.52 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 134304472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).