2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine

C15H30N2S — CID 167091255

IUPAC2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine
SMILESCSC1CCC(CN2CCC(CCN)CC2)CC1
InChIInChI=1S/C15H30N2S/c1-18-15-4-2-14(3-5-15)12-17-10-7-13(6-9-16)8-11-17/h13-15H,2-12,16H2,1H3
InChIKeyCIQSHSOMHZZLCK-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine

2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 167091255) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine
PubChem CID167091255
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine
SMILESCSC1CCC(CN2CCC(CCN)CC2)CC1
InChIInChI=1S/C15H30N2S/c1-18-15-4-2-14(3-5-15)12-17-10-7-13(6-9-16)8-11-17/h13-15H,2-12,16H2,1H3
InChIKeyCIQSHSOMHZZLCK-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine (CID 167091255) is 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine is CSC1CCC(CN2CCC(CCN)CC2)CC1.
What is the InChIKey of 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is CIQSHSOMHZZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-18-15-4-2-14(3-5-15)12-17-10-7-13(6-9-16)8-11-17/h13-15H,2-12,16H2,1H3.
What are the key properties of 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylsulfanylcyclohexyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 167091255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).