N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine

C12H26N2S — CID 122555830

IUPACN-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCCN(C)CC1CCCNC1
InChIInChI=1S/C12H26N2S/c1-11(2)15-8-7-14(3)10-12-5-4-6-13-9-12/h11-13H,4-10H2,1-3H3
InChIKeyLFWPJIQHHAEEIN-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine

N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine (PubChem CID 122555830) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
PubChem CID122555830
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCCN(C)CC1CCCNC1
InChIInChI=1S/C12H26N2S/c1-11(2)15-8-7-14(3)10-12-5-4-6-13-9-12/h11-13H,4-10H2,1-3H3
InChIKeyLFWPJIQHHAEEIN-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
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CID 115741609
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636675
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
CID 62860068

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine (CID 122555830) is N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine is CC(C)SCCN(C)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is LFWPJIQHHAEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-11(2)15-8-7-14(3)10-12-5-4-6-13-9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine?
N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 122555830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).