N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine

C17H36N2S — CID 115987473

IUPACN-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCNCC1(CN(C)C(CC)CSC)CCCC(C)C1
InChIInChI=1S/C17H36N2S/c1-6-16(12-20-5)19(4)14-17(13-18-7-2)10-8-9-15(3)11-17/h15-16,18H,6-14H2,1-5H3
InChIKeyCEDJWSZJRAEJLS-UHFFFAOYSA-N
MW300.56 g/mol
LogP3.87
Rot. Bonds9

About N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine

N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 115987473) has the molecular formula C17H36N2S and a molecular weight of 300.56 g/mol. Its IUPAC name is N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID115987473
Molecular FormulaC17H36N2S
Molecular Weight300.56 g/mol
Exact Mass300.26
IUPAC NameN-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCNCC1(CN(C)C(CC)CSC)CCCC(C)C1
InChIInChI=1S/C17H36N2S/c1-6-16(12-20-5)19(4)14-17(13-18-7-2)10-8-9-15(3)11-17/h15-16,18H,6-14H2,1-5H3
InChIKeyCEDJWSZJRAEJLS-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664870
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
N-methyl-1-methylsulfanyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
CID 115987456
3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
CID 102870862
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112660945
N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine
CID 79480266
N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664702
3-methyl-1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexane-1-carbaldehyde
CID 112664595
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 115987473) is N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine is CCNCC1(CN(C)C(CC)CSC)CCCC(C)C1.
What is the InChIKey of N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is CEDJWSZJRAEJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2S/c1-6-16(12-20-5)19(4)14-17(13-18-7-2)10-8-9-15(3)11-17/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 300.56 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115987473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).