N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine

C15H30N2S — CID 114116724

IUPACN-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(CC2(SC)CCCCC2)CC1
InChIInChI=1S/C15H30N2S/c1-3-16-14-7-11-17(12-8-14)13-15(18-2)9-5-4-6-10-15/h14,16H,3-13H2,1-2H3
InChIKeyHDECKRPDHRFNOS-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.13
Rot. Bonds5

About N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine

N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine (PubChem CID 114116724) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine
PubChem CID114116724
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(CC2(SC)CCCCC2)CC1
InChIInChI=1S/C15H30N2S/c1-3-16-14-7-11-17(12-8-14)13-15(18-2)9-5-4-6-10-15/h14,16H,3-13H2,1-2H3
InChIKeyHDECKRPDHRFNOS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114116951
1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
CID 82510061
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
ethane;N-ethylcyclohexanamine
CID 144865505
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine
CID 129121429
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-cyclopentyl-N-ethylpiperidin-4-amine
CID 43315368
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine (CID 114116724) is N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine is CCNC1CCN(CC2(SC)CCCCC2)CC1.
What is the InChIKey of N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine?
The InChIKey is HDECKRPDHRFNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-16-14-7-11-17(12-8-14)13-15(18-2)9-5-4-6-10-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine?
N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine is sourced from PubChem (CID 114116724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).