3-iodo-N-methylpropan-1-amine;hydrochloride

C4H11ClIN — CID 86252305

IUPAC3-iodo-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCI.Cl
InChIInChI=1S/C4H10IN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H
InChIKeyDJRXPYLKXHVVBY-UHFFFAOYSA-N
MW235.50 g/mol
LogP1.45
Rot. Bonds3

About 3-iodo-N-methylpropan-1-amine;hydrochloride

3-iodo-N-methylpropan-1-amine;hydrochloride (PubChem CID 86252305) has the molecular formula C4H11ClIN and a molecular weight of 235.50 g/mol. Its IUPAC name is 3-iodo-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-iodo-N-methylpropan-1-amine;hydrochloride
PubChem CID86252305
Molecular FormulaC4H11ClIN
Molecular Weight235.50 g/mol
Exact Mass234.96
IUPAC Name3-iodo-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCI.Cl
InChIInChI=1S/C4H10IN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H
InChIKeyDJRXPYLKXHVVBY-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-iodo-N-methylpropan-1-amine;hydrochloride (CID 86252305) is 3-iodo-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-iodo-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-iodo-N-methylpropan-1-amine;hydrochloride is CNCCCI.Cl.
What is the InChIKey of 3-iodo-N-methylpropan-1-amine;hydrochloride?
The InChIKey is DJRXPYLKXHVVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10IN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H.
What are the key properties of 3-iodo-N-methylpropan-1-amine;hydrochloride?
3-iodo-N-methylpropan-1-amine;hydrochloride has a molecular weight of 235.50 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 86252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).