5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine

C11H18BrNS — CID 80536845

IUPAC5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1sccc1Br
InChIInChI=1S/C11H18BrNS/c1-2-13-8-5-3-4-6-11-10(12)7-9-14-11/h7,9,13H,2-6,8H2,1H3
InChIKeyFLRJAKNMNPOGBE-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.83
Rot. Bonds7

About 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine

5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine (PubChem CID 80536845) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
PubChem CID80536845
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1sccc1Br
InChIInChI=1S/C11H18BrNS/c1-2-13-8-5-3-4-6-11-10(12)7-9-14-11/h7,9,13H,2-6,8H2,1H3
InChIKeyFLRJAKNMNPOGBE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
5-(3-bromothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80537110
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
N,N'-diethylpentane-1,5-diamine
CID 15013244
5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
CID 107267901
2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
CID 62529321
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine (CID 80536845) is 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine is CCNCCCCCc1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine?
The InChIKey is FLRJAKNMNPOGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-2-13-8-5-3-4-6-11-10(12)7-9-14-11/h7,9,13H,2-6,8H2,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine?
5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 80536845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).