3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine

C12H19BrN2S — CID 66009049

IUPAC3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine
SMILESCN(Cc1csc(Br)c1)CC1CCC(N)C1
InChIInChI=1S/C12H19BrN2S/c1-15(6-9-2-3-11(14)4-9)7-10-5-12(13)16-8-10/h5,8-9,11H,2-4,6-7,14H2,1H3
InChIKeyHYWJIOLNADUKPF-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.07
Rot. Bonds4

About 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine

3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine (PubChem CID 66009049) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine
PubChem CID66009049
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine
SMILESCN(Cc1csc(Br)c1)CC1CCC(N)C1
InChIInChI=1S/C12H19BrN2S/c1-15(6-9-2-3-11(14)4-9)7-10-5-12(13)16-8-10/h5,8-9,11H,2-4,6-7,14H2,1H3
InChIKeyHYWJIOLNADUKPF-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine (CID 66009049) is 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine is CN(Cc1csc(Br)c1)CC1CCC(N)C1.
What is the InChIKey of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine?
The InChIKey is HYWJIOLNADUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-15(6-9-2-3-11(14)4-9)7-10-5-12(13)16-8-10/h5,8-9,11H,2-4,6-7,14H2,1H3.
What are the key properties of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine?
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine has a molecular weight of 303.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66009049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).