5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine

C12H18BrNS — CID 79592758

IUPAC5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-2-7-14-8-5-3-4-6-12-9-11(13)10-15-12/h3-4,9-10,14H,2,5-8H2,1H3
InChIKeyFRPOOQUJOOZTKV-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.00
Rot. Bonds7

About 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine

5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine (PubChem CID 79592758) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine
PubChem CID79592758
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-2-7-14-8-5-3-4-6-12-9-11(13)10-15-12/h3-4,9-10,14H,2,5-8H2,1H3
InChIKeyFRPOOQUJOOZTKV-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-5-thiophen-2-ylpent-3-en-1-amine
CID 79593415
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
CID 104813629
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79593419
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79591063
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62430100
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
CID 62530402
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(propylaminomethyl)aniline
CID 63551376

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine (CID 79592758) is 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine is CCCNCCC=CCc1cc(Br)cs1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine?
The InChIKey is FRPOOQUJOOZTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-7-14-8-5-3-4-6-12-9-11(13)10-15-12/h3-4,9-10,14H,2,5-8H2,1H3.
What are the key properties of 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine?
5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79592758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).