1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine

C16H26BrNS — CID 107354446

IUPAC1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
SMILESCC(C)CC1(CNC(C)c2cc(Br)cs2)CCCC1
InChIInChI=1S/C16H26BrNS/c1-12(2)9-16(6-4-5-7-16)11-18-13(3)15-8-14(17)10-19-15/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyDQLUBROFRLGKRU-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.77
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine (PubChem CID 107354446) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
PubChem CID107354446
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
SMILESCC(C)CC1(CNC(C)c2cc(Br)cs2)CCCC1
InChIInChI=1S/C16H26BrNS/c1-12(2)9-16(6-4-5-7-16)11-18-13(3)15-8-14(17)10-19-15/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyDQLUBROFRLGKRU-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine (CID 107354446) is 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine is CC(C)CC1(CNC(C)c2cc(Br)cs2)CCCC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The InChIKey is DQLUBROFRLGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-12(2)9-16(6-4-5-7-16)11-18-13(3)15-8-14(17)10-19-15/h8,10,12-13,18H,4-7,9,11H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine has a molecular weight of 344.36 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 107354446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).