1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine

C12H16BrNS — CID 105112636

IUPAC1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1csc(Br)c1
InChIInChI=1S/C12H16BrNS/c1-3-5-6-11(14-7-4-2)10-8-12(13)15-9-10/h8-9,11,14H,4,6-7H2,1-2H3
InChIKeyLNRYEDARKYLMGH-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.96
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine

1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine (PubChem CID 105112636) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
PubChem CID105112636
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC Name1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1csc(Br)c1
InChIInChI=1S/C12H16BrNS/c1-3-5-6-11(14-7-4-2)10-8-12(13)15-9-10/h8-9,11,14H,4,6-7H2,1-2H3
InChIKeyLNRYEDARKYLMGH-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
CID 105290740
1-(4-bromo-3,5-dimethylphenyl)-N-propylpent-3-yn-1-amine
CID 114330852
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
1-(3,4-diethoxyphenyl)-N-propylpent-3-yn-1-amine
CID 115819147

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine (CID 105112636) is 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is LNRYEDARKYLMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c1-3-5-6-11(14-7-4-2)10-8-12(13)15-9-10/h8-9,11,14H,4,6-7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine?
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 286.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 105112636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).