N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine

C16H34N2S — CID 103787178

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCC(CC)(CNC1CCN(CC(C)C)CC1)SC
InChIInChI=1S/C16H34N2S/c1-6-16(7-2,19-5)13-17-15-8-10-18(11-9-15)12-14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyIUNJBINXYXTTNN-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.62
Rot. Bonds8

About N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine

N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103787178) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103787178
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCC(CC)(CNC1CCN(CC(C)C)CC1)SC
InChIInChI=1S/C16H34N2S/c1-6-16(7-2,19-5)13-17-15-8-10-18(11-9-15)12-14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyIUNJBINXYXTTNN-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
N-(2-methyl-2-phenylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103777348
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103787178) is N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine is CCC(CC)(CNC1CCN(CC(C)C)CC1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is IUNJBINXYXTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-6-16(7-2,19-5)13-17-15-8-10-18(11-9-15)12-14(3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 286.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103787178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).