6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine

C14H24BrNS — CID 65306697

IUPAC6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
SMILESCC(C)(C)NCCCCCCc1ccc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-14(2,3)16-11-7-5-4-6-8-12-9-10-13(15)17-12/h9-10,16H,4-8,11H2,1-3H3
InChIKeyBLLQYGDCWRPMTE-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.00
Rot. Bonds7

About 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine

6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine (PubChem CID 65306697) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
PubChem CID65306697
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
SMILESCC(C)(C)NCCCCCCc1ccc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-14(2,3)16-11-7-5-4-6-8-12-9-10-13(15)17-12/h9-10,16H,4-8,11H2,1-3H3
InChIKeyBLLQYGDCWRPMTE-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
5-(4-bromo-5-chlorothiophen-2-yl)-N-tert-butylpentan-1-amine
CID 102838164
1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
CID 66003447
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
6-(3-bromo-5-methylthiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306222
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
CID 106048047
N-[2-(5-bromothiophen-2-yl)ethyl]formamide
CID 106043586
2-bromo-5-(4-bromopentyl)thiophene
CID 64507800
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
CID 113410415
N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
CID 54869367

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine (CID 65306697) is 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine is CC(C)(C)NCCCCCCc1ccc(Br)s1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine?
The InChIKey is BLLQYGDCWRPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-14(2,3)16-11-7-5-4-6-8-12-9-10-13(15)17-12/h9-10,16H,4-8,11H2,1-3H3.
What are the key properties of 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine?
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine has a molecular weight of 318.32 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine is sourced from PubChem (CID 65306697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).