5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine

C15H25BrN2S — CID 79866037

IUPAC5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN(C)Cc2csc(Br)c2)CCC1(C)C
InChIInChI=1S/C15H25BrN2S/c1-15(2)6-5-12(14(15)17-3)9-18(4)8-11-7-13(16)19-10-11/h7,10,12,14,17H,5-6,8-9H2,1-4H3
InChIKeyBVVOBVBMYOJRNT-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.97
Rot. Bonds5

About 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine

5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79866037) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79866037
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN(C)Cc2csc(Br)c2)CCC1(C)C
InChIInChI=1S/C15H25BrN2S/c1-15(2)6-5-12(14(15)17-3)9-18(4)8-11-7-13(16)19-10-11/h7,10,12,14,17H,5-6,8-9H2,1-4H3
InChIKeyBVVOBVBMYOJRNT-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine (CID 79866037) is 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine is CNC1C(CN(C)Cc2csc(Br)c2)CCC1(C)C.
What is the InChIKey of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is BVVOBVBMYOJRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-15(2)6-5-12(14(15)17-3)9-18(4)8-11-7-13(16)19-10-11/h7,10,12,14,17H,5-6,8-9H2,1-4H3.
What are the key properties of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 345.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79866037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).