1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine

C15H25BrN2S — CID 54898113

IUPAC1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(NCC1(N(C)C)CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C15H25BrN2S/c1-12(13-7-8-14(16)19-13)17-11-15(18(2)3)9-5-4-6-10-15/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyCFQXAWVTRMOJRH-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.43
Rot. Bonds5

About 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine

1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 54898113) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID54898113
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(NCC1(N(C)C)CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C15H25BrN2S/c1-12(13-7-8-14(16)19-13)17-11-15(18(2)3)9-5-4-6-10-15/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyCFQXAWVTRMOJRH-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

1-[[1-(furan-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43201850
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51963936
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272
1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83116978
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
CID 43201843
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78914354
N,N-dimethyl-1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclohexan-1-amine
CID 102612303
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
CID 113344938
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 63822376
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 54898113) is 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine is CC(NCC1(N(C)C)CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is CFQXAWVTRMOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-12(13-7-8-14(16)19-13)17-11-15(18(2)3)9-5-4-6-10-15/h7-8,12,17H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 345.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 54898113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).