1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine

C11H16BrNS — CID 114474798

IUPAC1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNS/c1-8(2)4-5-9(13-3)10-6-7-11(12)14-10/h6-7,9,13H,1,4-5H2,2-3H3
InChIKeyVUIGBTPFOIOCRK-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine

1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine (PubChem CID 114474798) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
PubChem CID114474798
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNS/c1-8(2)4-5-9(13-3)10-6-7-11(12)14-10/h6-7,9,13H,1,4-5H2,2-3H3
InChIKeyVUIGBTPFOIOCRK-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-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949282
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine
CID 114475544
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
[1-(5-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335800
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
1-(3-bromo-4-chlorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114475733

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine (CID 114474798) is 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine is C=C(C)CCC(NC)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine?
The InChIKey is VUIGBTPFOIOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8(2)4-5-9(13-3)10-6-7-11(12)14-10/h6-7,9,13H,1,4-5H2,2-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine?
1-(5-bromothiophen-2-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-2-yl)-N,4-dimethylpent-4-en-1-amine is sourced from PubChem (CID 114474798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).