N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine

C14H30N2S — CID 114628753

IUPACN-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
SMILESCCC(C)CN(CC)CCSC1CCNCC1
InChIInChI=1S/C14H30N2S/c1-4-13(3)12-16(5-2)10-11-17-14-6-8-15-9-7-14/h13-15H,4-12H2,1-3H3
InChIKeyAZWHZWBCYYIGMK-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds8

About N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine

N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine (PubChem CID 114628753) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
PubChem CID114628753
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
SMILESCCC(C)CN(CC)CCSC1CCNCC1
InChIInChI=1S/C14H30N2S/c1-4-13(3)12-16(5-2)10-11-17-14-6-8-15-9-7-14/h13-15H,4-12H2,1-3H3
InChIKeyAZWHZWBCYYIGMK-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine (CID 114628753) is N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine is CCC(C)CN(CC)CCSC1CCNCC1.
What is the InChIKey of N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
The InChIKey is AZWHZWBCYYIGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-4-13(3)12-16(5-2)10-11-17-14-6-8-15-9-7-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 114628753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).