2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

C15H26BrNS — CID 55196239

IUPAC2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C15H26BrNS/c1-5-8-15(4,11-17-10-12(2)3)9-13-6-7-14(16)18-13/h6-7,12,17H,5,8-11H2,1-4H3
InChIKeyPZURKTSZJZFVIL-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.11
Rot. Bonds8

About 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 55196239) has the molecular formula C15H26BrNS and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID55196239
Molecular FormulaC15H26BrNS
Molecular Weight332.35 g/mol
Exact Mass331.10
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C15H26BrNS/c1-5-8-15(4,11-17-10-12(2)3)9-13-6-7-14(16)18-13/h6-7,12,17H,5,8-11H2,1-4H3
InChIKeyPZURKTSZJZFVIL-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 55196239) is 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is PZURKTSZJZFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNS/c1-5-8-15(4,11-17-10-12(2)3)9-13-6-7-14(16)18-13/h6-7,12,17H,5,8-11H2,1-4H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 332.35 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 55196239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).