9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H30N2S — CID 113466928

IUPAC9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2CC(C)SC
InChIInChI=1S/C15H30N2S/c1-4-8-16-13-9-14-6-5-7-15(10-13)17(14)11-12(2)18-3/h12-16H,4-11H2,1-3H3
InChIKeyQTVHHSSCKDSUPL-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds6

About 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 113466928) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID113466928
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2CC(C)SC
InChIInChI=1S/C15H30N2S/c1-4-8-16-13-9-14-6-5-7-15(10-13)17(14)11-12(2)18-3/h12-16H,4-11H2,1-3H3
InChIKeyQTVHHSSCKDSUPL-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
9-(2-methylsulfanylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107646036
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 113466928) is 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2CC(C)SC.
What is the InChIKey of 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QTVHHSSCKDSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-8-16-13-9-14-6-5-7-15(10-13)17(14)11-12(2)18-3/h12-16H,4-11H2,1-3H3.
What are the key properties of 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 270.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 113466928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).