N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine

C16H27BrN2S — CID 63494298

IUPACN-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2csc(Br)c2)CCCCC1
InChIInChI=1S/C16H27BrN2S/c1-3-18-12-16(7-5-4-6-8-16)13-19(2)10-14-9-15(17)20-11-14/h9,11,18H,3-8,10,12-13H2,1-2H3
InChIKeyWKGXAJRNMMIVDK-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.50
Rot. Bonds7

About N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine

N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine (PubChem CID 63494298) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
PubChem CID63494298
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC NameN-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2csc(Br)c2)CCCCC1
InChIInChI=1S/C16H27BrN2S/c1-3-18-12-16(7-5-4-6-8-16)13-19(2)10-14-9-15(17)20-11-14/h9,11,18H,3-8,10,12-13H2,1-2H3
InChIKeyWKGXAJRNMMIVDK-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 65002893
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
2-[1-(aminomethyl)cyclobutyl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
CID 81171238
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
N-[(5-bromothiophen-3-yl)methyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103069893
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041
1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
CID 106981793
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699135
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine (CID 63494298) is N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine is CCNCC1(CN(C)Cc2csc(Br)c2)CCCCC1.
What is the InChIKey of N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is WKGXAJRNMMIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-3-18-12-16(7-5-4-6-8-16)13-19(2)10-14-9-15(17)20-11-14/h9,11,18H,3-8,10,12-13H2,1-2H3.
What are the key properties of N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 359.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63494298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).