1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine

C12H26N2S — CID 63982125

IUPAC1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
SMILESCCN1CCC(NCC(C)CSC)CC1
InChIInChI=1S/C12H26N2S/c1-4-14-7-5-12(6-8-14)13-9-11(2)10-15-3/h11-13H,4-10H2,1-3H3
InChIKeyJCAAITTZKINLOE-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine

1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine (PubChem CID 63982125) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
PubChem CID63982125
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
SMILESCCN1CCC(NCC(C)CSC)CC1
InChIInChI=1S/C12H26N2S/c1-4-14-7-5-12(6-8-14)13-9-11(2)10-15-3/h11-13H,4-10H2,1-3H3
InChIKeyJCAAITTZKINLOE-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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine (CID 63982125) is 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine is CCN1CCC(NCC(C)CSC)CC1.
What is the InChIKey of 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The InChIKey is JCAAITTZKINLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-14-7-5-12(6-8-14)13-9-11(2)10-15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine 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 1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine is sourced from PubChem (CID 63982125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).