1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine

C11H16BrNS — CID 105163785

IUPAC1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1csc(Br)c1
InChIInChI=1S/C11H16BrNS/c1-4-5-13-11(8(2)3)9-6-10(12)14-7-9/h6-7,11,13H,2,4-5H2,1,3H3
InChIKeyJTFYZNXLTIRWAI-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine

1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 105163785) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID105163785
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1csc(Br)c1
InChIInChI=1S/C11H16BrNS/c1-4-5-13-11(8(2)3)9-6-10(12)14-7-9/h6-7,11,13H,2,4-5H2,1,3H3
InChIKeyJTFYZNXLTIRWAI-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005326
1-(3-bromophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79190724
1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040
N-[(5-bromothiophen-3-yl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 105142114
N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
CID 105005415
1-(3-bromo-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005152
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
2-methyl-N-propyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-amine
CID 79177962
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine (CID 105163785) is 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is JTFYZNXLTIRWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-4-5-13-11(8(2)3)9-6-10(12)14-7-9/h6-7,11,13H,2,4-5H2,1,3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 274.23 g/mol, XLogP of 4.13, 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)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105163785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).