1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine

C14H23BrN2S — CID 43431975

IUPAC1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNCc2csc(Br)c2)CCCCC1
InChIInChI=1S/C14H23BrN2S/c1-17(2)14(6-4-3-5-7-14)11-16-9-12-8-13(15)18-10-12/h8,10,16H,3-7,9,11H2,1-2H3
InChIKeyMKVOOQGUPGSJRN-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.86
Rot. Bonds5

About 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine

1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 43431975) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID43431975
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNCc2csc(Br)c2)CCCCC1
InChIInChI=1S/C14H23BrN2S/c1-17(2)14(6-4-3-5-7-14)11-16-9-12-8-13(15)18-10-12/h8,10,16H,3-7,9,11H2,1-2H3
InChIKeyMKVOOQGUPGSJRN-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 43431975) is 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(CNCc2csc(Br)c2)CCCCC1.
What is the InChIKey of 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is MKVOOQGUPGSJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-17(2)14(6-4-3-5-7-14)11-16-9-12-8-13(15)18-10-12/h8,10,16H,3-7,9,11H2,1-2H3.
What are the key properties of 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromothiophen-3-yl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43431975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).