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

C10H13Br2NS — CID 103092444

IUPAC(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2NS/c1-3-13-7(2)4-5-8-6-9(11)10(12)14-8/h4-7,13H,3H2,1-2H3/b5-4+
InChIKeyWPNXVFZZJWTSFX-SNAWJCMRSA-N
MW339.10 g/mol
LogP4.28
Rot. Bonds4

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

(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine (PubChem CID 103092444) has the molecular formula C10H13Br2NS and a molecular weight of 339.10 g/mol. Its IUPAC name is (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
PubChem CID103092444
Molecular FormulaC10H13Br2NS
Molecular Weight339.10 g/mol
Exact Mass336.91
IUPAC Name(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2NS/c1-3-13-7(2)4-5-8-6-9(11)10(12)14-8/h4-7,13H,3H2,1-2H3/b5-4+
InChIKeyWPNXVFZZJWTSFX-SNAWJCMRSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092752
(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540
(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
N-[(4,5-dibromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 80533737
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
N-[(4,5-dibromothiophen-2-yl)-phenylmethyl]ethanamine
CID 80533895
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
2,3-dibromo-5-(3-methyl-2-nitrobut-1-enyl)thiophene
CID 102843694
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine (CID 103092444) is (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/c1cc(Br)c(Br)s1.
What is the InChIKey of (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine?
The InChIKey is WPNXVFZZJWTSFX-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13Br2NS/c1-3-13-7(2)4-5-8-6-9(11)10(12)14-8/h4-7,13H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine?
(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine has a molecular weight of 339.10 g/mol, XLogP of 4.28, 4 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-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).