N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine

C14H28N2S — CID 112661243

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)CCC1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2S/c1-11(10-17-3)16(2)7-6-12-8-13-4-5-14(9-12)15-13/h11-15H,4-10H2,1-3H3
InChIKeyQXAMKNWIVIXTHR-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112661243) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112661243
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)CCC1CC2CCC(C1)N2
InChIInChI=1S/C14H28N2S/c1-11(10-17-3)16(2)7-6-12-8-13-4-5-14(9-12)15-13/h11-15H,4-10H2,1-3H3
InChIKeyQXAMKNWIVIXTHR-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 79615192
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79614781
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
CID 79614979
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 79615271
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107399300
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 79615063
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine
CID 79611594

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 112661243) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine is CSCC(C)N(C)CCC1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is QXAMKNWIVIXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-11(10-17-3)16(2)7-6-12-8-13-4-5-14(9-12)15-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112661243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).