5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine

C13H21BrN2S — CID 115213617

IUPAC5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine
SMILESCNC1CCC(CN(C)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H21BrN2S/c1-15-11-5-3-10(4-6-11)9-16(2)13-8-7-12(14)17-13/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeyLKMJCVJTAXFJBM-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine

5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine (PubChem CID 115213617) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine
PubChem CID115213617
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine
SMILESCNC1CCC(CN(C)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H21BrN2S/c1-15-11-5-3-10(4-6-11)9-16(2)13-8-7-12(14)17-13/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeyLKMJCVJTAXFJBM-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine (CID 115213617) is 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine is CNC1CCC(CN(C)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine?
The InChIKey is LKMJCVJTAXFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-15-11-5-3-10(4-6-11)9-16(2)13-8-7-12(14)17-13/h7-8,10-11,15H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine?
5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine has a molecular weight of 317.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine is sourced from PubChem (CID 115213617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).