N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine

C10H12Br2N2S — CID 102839925

IUPACN-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
SMILESCC#CCNC(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2N2S/c1-2-3-4-14-8(6-13)9-5-7(11)10(12)15-9/h5,8,14H,4,6,13H2,1H3
InChIKeyKZSSBBUJMVJPEG-UHFFFAOYSA-N
MW352.10 g/mol
LogP2.89
Rot. Bonds4

About N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine

N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine (PubChem CID 102839925) has the molecular formula C10H12Br2N2S and a molecular weight of 352.10 g/mol. Its IUPAC name is N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
PubChem CID102839925
Molecular FormulaC10H12Br2N2S
Molecular Weight352.10 g/mol
Exact Mass349.91
IUPAC NameN-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
SMILESCC#CCNC(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2N2S/c1-2-3-4-14-8(6-13)9-5-7(11)10(12)15-9/h5,8,14H,4,6,13H2,1H3
InChIKeyKZSSBBUJMVJPEG-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 102839852
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 102839747
1-(4-bromo-5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 102839484
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-yn-1-amine
CID 105034149
1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine (CID 102839925) is N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine is CC#CCNC(CN)c1cc(Br)c(Br)s1.
What is the InChIKey of N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The InChIKey is KZSSBBUJMVJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2S/c1-2-3-4-14-8(6-13)9-5-7(11)10(12)15-9/h5,8,14H,4,6,13H2,1H3.
What are the key properties of N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine has a molecular weight of 352.10 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102839925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).