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

C14H28N2S — CID 61233026

IUPACN-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCCSC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2S/c1-3-7-16(8-4-9-17-2)14-10-12-5-6-13(11-14)15-12/h12-15H,3-11H2,1-2H3
InChIKeyALUODILXRYBMSY-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds7

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

N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233026) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233026
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCCSC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2S/c1-3-7-16(8-4-9-17-2)14-10-12-5-6-13(11-14)15-12/h12-15H,3-11H2,1-2H3
InChIKeyALUODILXRYBMSY-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
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 N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61233026) is N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CCCSC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ALUODILXRYBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-7-16(8-4-9-17-2)14-10-12-5-6-13(11-14)15-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).