1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C14H23BrN2S — CID 102837189

IUPAC1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1sc(CNCC2(N(C)C)CCCC2)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-11-13(15)8-12(18-11)9-16-10-14(17(2)3)6-4-5-7-14/h8,16H,4-7,9-10H2,1-3H3
InChIKeyVNTQWQPMEUWEGB-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.78
Rot. Bonds5

About 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 102837189) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID102837189
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1sc(CNCC2(N(C)C)CCCC2)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-11-13(15)8-12(18-11)9-16-10-14(17(2)3)6-4-5-7-14/h8,16H,4-7,9-10H2,1-3H3
InChIKeyVNTQWQPMEUWEGB-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 102837189) is 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is Cc1sc(CNCC2(N(C)C)CCCC2)cc1Br.
What is the InChIKey of 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is VNTQWQPMEUWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-11-13(15)8-12(18-11)9-16-10-14(17(2)3)6-4-5-7-14/h8,16H,4-7,9-10H2,1-3H3.
What are the key properties of 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 102837189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).