1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine

C11H16BrNS — CID 105182683

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

About 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine

1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine (PubChem CID 105182683) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
PubChem CID105182683
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1csc(Br)c1
InChIInChI=1S/C11H16BrNS/c1-8(2)4-5-10(13-3)9-6-11(12)14-7-9/h6-7,10,13H,1,4-5H2,2-3H3
InChIKeyCNWMOARXRVADBM-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-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 114474798
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
1-(3-bromo-4-chlorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114475733
1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474803
N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine
CID 114475544
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412702
1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029803
1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
CID 105039557
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine (CID 105182683) is 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine is C=C(C)CCC(NC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine?
The InChIKey is CNWMOARXRVADBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8(2)4-5-10(13-3)9-6-11(12)14-7-9/h6-7,10,13H,1,4-5H2,2-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine?
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-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)-N,4-dimethylpent-4-en-1-amine is sourced from PubChem (CID 105182683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).