1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine

C14H23BrN2S — CID 79601627

IUPAC1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2cscc2Br)CCCC1
InChIInChI=1S/C14H23BrN2S/c1-3-17(4-2)14(7-5-6-8-14)13(16)11-9-18-10-12(11)15/h9-10,13H,3-8,16H2,1-2H3
InChIKeyXYJMQBDEGOWTKH-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.16
Rot. Bonds5

About 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 79601627) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID79601627
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2cscc2Br)CCCC1
InChIInChI=1S/C14H23BrN2S/c1-3-17(4-2)14(7-5-6-8-14)13(16)11-9-18-10-12(11)15/h9-10,13H,3-8,16H2,1-2H3
InChIKeyXYJMQBDEGOWTKH-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine (CID 79601627) is 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)c2cscc2Br)CCCC1.
What is the InChIKey of 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is XYJMQBDEGOWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-3-17(4-2)14(7-5-6-8-14)13(16)11-9-18-10-12(11)15/h9-10,13H,3-8,16H2,1-2H3.
What are the key properties of 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 79601627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).