3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine

C10H16BrNS — CID 62530405

IUPAC3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1sccc1Br
InChIInChI=1S/C10H16BrNS/c1-2-6-12-7-3-4-10-9(11)5-8-13-10/h5,8,12H,2-4,6-7H2,1H3
InChIKeyBYHFELWBIQDWTP-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.44
Rot. Bonds6

About 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine

3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 62530405) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
PubChem CID62530405
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1sccc1Br
InChIInChI=1S/C10H16BrNS/c1-2-6-12-7-3-4-10-9(11)5-8-13-10/h5,8,12H,2-4,6-7H2,1H3
InChIKeyBYHFELWBIQDWTP-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.44
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

5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80536845
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837734
N-[2-[1-[(3-bromothiophen-2-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79984951
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
5-(3-bromothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80537110
N-[[2-[(3-bromothiophen-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025588
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
CID 107267901

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine (CID 62530405) is 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine is CCCNCCCc1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is BYHFELWBIQDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-2-6-12-7-3-4-10-9(11)5-8-13-10/h5,8,12H,2-4,6-7H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine?
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62530405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).