8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C11H22N2S — CID 61233487

IUPAC8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSCCCN1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2S/c1-14-6-2-5-13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3
InChIKeySEFGJHKVTNPPPF-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.69
Rot. Bonds4

About 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233487) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233487
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSCCCN1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2S/c1-14-6-2-5-13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3
InChIKeySEFGJHKVTNPPPF-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61233487) is 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CSCCCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SEFGJHKVTNPPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-14-6-2-5-13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).