1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine

C12H26N2S — CID 115725724

IUPAC1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine
SMILESCCSCC(C)NC1CCN(CC)CC1
InChIInChI=1S/C12H26N2S/c1-4-14-8-6-12(7-9-14)13-11(3)10-15-5-2/h11-13H,4-10H2,1-3H3
InChIKeyKLUBAIXGVSYGIW-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds6

About 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine

1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine (PubChem CID 115725724) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine
PubChem CID115725724
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine
SMILESCCSCC(C)NC1CCN(CC)CC1
InChIInChI=1S/C12H26N2S/c1-4-14-8-6-12(7-9-14)13-11(3)10-15-5-2/h11-13H,4-10H2,1-3H3
InChIKeyKLUBAIXGVSYGIW-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
CID 56708476
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine
CID 115901446
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448809
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
CID 43723592

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine (CID 115725724) is 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine is CCSCC(C)NC1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine?
The InChIKey is KLUBAIXGVSYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-14-8-6-12(7-9-14)13-11(3)10-15-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine?
1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 115725724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).