6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine

C10H22INS — CID 107844865

IUPAC6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine
SMILESCSCCCNCCCCCCI
InChIInChI=1S/C10H22INS/c1-13-10-6-9-12-8-5-3-2-4-7-11/h12H,2-10H2,1H3
InChIKeyTZAMRGIELHXQAL-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.32
Rot. Bonds10

About 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine

6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine (PubChem CID 107844865) has the molecular formula C10H22INS and a molecular weight of 315.26 g/mol. Its IUPAC name is 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine
PubChem CID107844865
Molecular FormulaC10H22INS
Molecular Weight315.26 g/mol
Exact Mass315.05
IUPAC Name6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine
SMILESCSCCCNCCCCCCI
InChIInChI=1S/C10H22INS/c1-13-10-6-9-12-8-5-3-2-4-7-11/h12H,2-10H2,1H3
InChIKeyTZAMRGIELHXQAL-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine?
The IUPAC name of 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine (CID 107844865) is 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine.
What is the SMILES notation for 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine?
The canonical SMILES for 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine is CSCCCNCCCCCCI.
What is the InChIKey of 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine?
The InChIKey is TZAMRGIELHXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INS/c1-13-10-6-9-12-8-5-3-2-4-7-11/h12H,2-10H2,1H3.
What are the key properties of 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine?
6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine has a molecular weight of 315.26 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-(3-methylsulfanylpropyl)hexan-1-amine is sourced from PubChem (CID 107844865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).