1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine

C10H17BrN2S — CID 115380264

IUPAC1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1sccc1Br
InChIInChI=1S/C10H17BrN2S/c1-3-13(4-2)9(7-12)10-8(11)5-6-14-10/h5-6,9H,3-4,7,12H2,1-2H3
InChIKeyQMPMTMTYOLUBQL-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine

1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 115380264) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
PubChem CID115380264
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1sccc1Br
InChIInChI=1S/C10H17BrN2S/c1-3-13(4-2)9(7-12)10-8(11)5-6-14-10/h5-6,9H,3-4,7,12H2,1-2H3
InChIKeyQMPMTMTYOLUBQL-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 115380297
1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 115380378
1-(3-bromothiophen-2-yl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380401
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
1-(3-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380402
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 115380381
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
1-(3-bromothiophen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 115380316
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
2-(3-bromothiophen-2-yl)-2-ethoxyacetonitrile
CID 115381456
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine (CID 115380264) is 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is QMPMTMTYOLUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-3-13(4-2)9(7-12)10-8(11)5-6-14-10/h5-6,9H,3-4,7,12H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 115380264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).