(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine

C11H15Br2NS — CID 103092752

IUPAC(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NS/c1-3-6-14-8(2)4-5-9-7-10(12)11(13)15-9/h4-5,7-8,14H,3,6H2,1-2H3/b5-4+
InChIKeyXGRYGYPWHZJTTO-SNAWJCMRSA-N
MW353.12 g/mol
LogP4.67
Rot. Bonds5

About (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine

(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine (PubChem CID 103092752) has the molecular formula C11H15Br2NS and a molecular weight of 353.12 g/mol. Its IUPAC name is (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine
PubChem CID103092752
Molecular FormulaC11H15Br2NS
Molecular Weight353.12 g/mol
Exact Mass350.93
IUPAC Name(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NS/c1-3-6-14-8(2)4-5-9-7-10(12)11(13)15-9/h4-5,7-8,14H,3,6H2,1-2H3/b5-4+
InChIKeyXGRYGYPWHZJTTO-SNAWJCMRSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
CID 103092444
(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092879
1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 80533794
(E)-4-(4-bromo-2-nitrophenyl)-N-propylbut-3-en-2-amine
CID 103092672
N-[(4,5-dibromothiophen-2-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 80535599
(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
CID 103092632
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
N-[1-(4,5-dibromothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007809
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine (CID 103092752) is (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1cc(Br)c(Br)s1.
What is the InChIKey of (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine?
The InChIKey is XGRYGYPWHZJTTO-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15Br2NS/c1-3-6-14-8(2)4-5-9-7-10(12)11(13)15-9/h4-5,7-8,14H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine?
(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine has a molecular weight of 353.12 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).